N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate

C59H49Cl2N7O13 — CID 159558745

IUPACN-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate
SMILESCC(=O)Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12.CC(=O)Nc1ccc2ccccc2c1-c1c(NC(=O)ON2C(=O)CCC2=O)ccc2ccccc12.ClCCl.O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C27H21N3O5.C22H18N2O.C9H8N2O7.CH2Cl2/c1-16(31)28-21-12-10-17-6-2-4-8-19(17)25(21)26-20-9-5-3-7-18(20)11-13-22(26)29-27(34)35-30-23(32)14-15-24(30)33;1-14(25)24-20-13-11-16-7-3-5-9-18(16)22(20)21-17-8-4-2-6-15(17)10-12-19(21)23;12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15;2-1-3/h2-13H,14-15H2,1H3,(H,28,31)(H,29,34);2-13H,23H2,1H3,(H,24,25);1-4H2;1H2
InChIKeyMGIDKLLFUSQNNA-UHFFFAOYSA-N
MW1134.98 g/mol
LogP11.12
Rot. Bonds8

About N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate

N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate (PubChem CID 159558745) has the molecular formula C59H49Cl2N7O13 and a molecular weight of 1134.98 g/mol. Its IUPAC name is N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate.

Molecular Properties

Compound NameN-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate
PubChem CID159558745
Molecular FormulaC59H49Cl2N7O13
Molecular Weight1134.98 g/mol
Exact Mass1133.28
IUPAC NameN-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate
SMILESCC(=O)Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12.CC(=O)Nc1ccc2ccccc2c1-c1c(NC(=O)ON2C(=O)CCC2=O)ccc2ccccc12.ClCCl.O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C27H21N3O5.C22H18N2O.C9H8N2O7.CH2Cl2/c1-16(31)28-21-12-10-17-6-2-4-8-19(17)25(21)26-20-9-5-3-7-18(20)11-13-22(26)29-27(34)35-30-23(32)14-15-24(30)33;1-14(25)24-20-13-11-16-7-3-5-9-18(16)22(20)21-17-8-4-2-6-15(17)10-12-19(21)23;12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15;2-1-3/h2-13H,14-15H2,1H3,(H,28,31)(H,29,34);2-13H,23H2,1H3,(H,24,25);1-4H2;1H2
InChIKeyMGIDKLLFUSQNNA-UHFFFAOYSA-N
XLogP11.12
TPSA270.22 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001134.98
LogP ≤ 511.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) N-methylcarbamate;ethane;phenanthrene
CID 161315751
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride
CID 161027007
benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate
CID 53344092
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
(2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate
CID 88553951
ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate
CID 87993254
methyl N-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]carbamate
CID 12010727
benzyl N-[2-(2-aminonaphthalen-1-yl)-4-methoxyphenyl]carbamate
CID 53343709
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
(2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate
CID 170258692
methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate
CID 10427547
dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate
CID 159499892

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate?
The IUPAC name of N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate (CID 159558745) is N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate.
What is the SMILES notation for N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate?
The canonical SMILES for N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate is CC(=O)Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12.CC(=O)Nc1ccc2ccccc2c1-c1c(NC(=O)ON2C(=O)CCC2=O)ccc2ccccc12.ClCCl.O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate?
The InChIKey is MGIDKLLFUSQNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O5.C22H18N2O.C9H8N2O7.CH2Cl2/c1-16(31)28-21-12-10-17-6-2-4-8-19(17)25(21)26-20-9-5-3-7-18(20)11-13-22(26)29-27(34)35-30-23(32)14-15-24(30)33;1-14(25)24-20-13-11-16-7-3-5-9-18(16)22(20)21-17-8-4-2-6-15(17)10-12-19(21)23;12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15;2-1-3/h2-13H,14-15H2,1H3,(H,28,31)(H,29,34);2-13H,23H2,1H3,(H,24,25);1-4H2;1H2.
What are the key properties of N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate?
N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate has a molecular weight of 1134.98 g/mol, XLogP of 11.12, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]acetamide;bis(2,5-dioxopyrrolidin-1-yl) carbonate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) N-[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]carbamate is sourced from PubChem (CID 159558745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).