N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate

C47H50N6O3 — CID 162190536

IUPACN-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate
SMILESCC(=O)N(CCc1ccc(N)cc1)Cc1ccc(N)cc1.Nc1ccc(CCN(Cc2ccc(N)cc2)C(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C30H29N3O2.C17H21N3O/c31-23-13-9-21(10-14-23)17-18-33(19-22-11-15-24(32)16-12-22)30(34)35-20-29-27-7-3-1-5-25(27)26-6-2-4-8-28(26)29;1-13(21)20(12-15-4-8-17(19)9-5-15)11-10-14-2-6-16(18)7-3-14/h1-16,29H,17-20,31-32H2;2-9H,10-12,18-19H2,1H3
InChIKeyZQFXEQSOBWUDKH-UHFFFAOYSA-N
MW746.96 g/mol
LogP8.29
Rot. Bonds12

About N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate

N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate (PubChem CID 162190536) has the molecular formula C47H50N6O3 and a molecular weight of 746.96 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate
PubChem CID162190536
Molecular FormulaC47H50N6O3
Molecular Weight746.96 g/mol
Exact Mass746.39
IUPAC NameN-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate
SMILESCC(=O)N(CCc1ccc(N)cc1)Cc1ccc(N)cc1.Nc1ccc(CCN(Cc2ccc(N)cc2)C(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C30H29N3O2.C17H21N3O/c31-23-13-9-21(10-14-23)17-18-33(19-22-11-15-24(32)16-12-22)30(34)35-20-29-27-7-3-1-5-25(27)26-6-2-4-8-28(26)29;1-13(21)20(12-15-4-8-17(19)9-5-15)11-10-14-2-6-16(18)7-3-14/h1-16,29H,17-20,31-32H2;2-9H,10-12,18-19H2,1H3
InChIKeyZQFXEQSOBWUDKH-UHFFFAOYSA-N
XLogP8.29
TPSA153.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.96
LogP ≤ 58.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]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

3-[(4-tert-butylphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 165479101
2-[9H-fluoren-9-ylmethoxycarbonyl(2-pyridin-4-ylethyl)amino]acetic acid
CID 171703087
2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid
CID 172529758
2-[2-(3,4-difluorophenyl)ethyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 177277839
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
3-[9H-fluoren-9-ylmethoxycarbonyl-[(3-fluorophenyl)methyl]amino]propanoic acid
CID 165469984
9H-fluoren-9-ylmethyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]butyl]carbamate;dihydrochloride
CID 121233598
3-[2-[(4-aminophenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid
CID 175908789
methyl 4-[[[(2S,3S)-2-amino-3-methylpentyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]methyl]benzoate
CID 142664897
2-[benzyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 78063599
ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate (CID 162190536) is N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate is CC(=O)N(CCc1ccc(N)cc1)Cc1ccc(N)cc1.Nc1ccc(CCN(Cc2ccc(N)cc2)C(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate?
The InChIKey is ZQFXEQSOBWUDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2.C17H21N3O/c31-23-13-9-21(10-14-23)17-18-33(19-22-11-15-24(32)16-12-22)30(34)35-20-29-27-7-3-1-5-25(27)26-6-2-4-8-28(26)29;1-13(21)20(12-15-4-8-17(19)9-5-15)11-10-14-2-6-16(18)7-3-14/h1-16,29H,17-20,31-32H2;2-9H,10-12,18-19H2,1H3.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate?
N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate has a molecular weight of 746.96 g/mol, XLogP of 8.29, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate is sourced from PubChem (CID 162190536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).