4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate

C19H26N2O3 — CID 11078039

IUPAC4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate
SMILESCC(C)(C)OCCCCOC(=O)Nc1cccc2c(N)cccc12
InChIInChI=1S/C19H26N2O3/c1-19(2,3)24-13-5-4-12-23-18(22)21-17-11-7-8-14-15(17)9-6-10-16(14)20/h6-11H,4-5,12-13,20H2,1-3H3,(H,21,22)
InChIKeyGEHWEIRENFCCFR-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.57
Rot. Bonds6

About 4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate

4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate (PubChem CID 11078039) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate
PubChem CID11078039
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate
SMILESCC(C)(C)OCCCCOC(=O)Nc1cccc2c(N)cccc12
InChIInChI=1S/C19H26N2O3/c1-19(2,3)24-13-5-4-12-23-18(22)21-17-11-7-8-14-15(17)9-6-10-16(14)20/h6-11H,4-5,12-13,20H2,1-3H3,(H,21,22)
InChIKeyGEHWEIRENFCCFR-UHFFFAOYSA-N
XLogP4.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-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

4-methoxybutyl N-[5-(4-methoxybutoxycarbonylamino)naphthalen-1-yl]carbamate
CID 86204036
tert-butyl N-[4-(3-chloropropoxy)naphthalen-1-yl]carbamate;4-(3-chloropropoxy)naphthalen-1-amine
CID 157060860
N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995274
2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate
CID 79346430
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl N-quinolin-5-ylcarbamate;quinolin-5-amine
CID 162166731
pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591
2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate
CID 79337527
2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate
CID 112588469
ethyl 2-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]oxyethoxy]acetate
CID 169273604
hexyl N-(3-chloro-2-hydroxyphenyl)carbamate
CID 69009032

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate (CID 11078039) is 4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate is CC(C)(C)OCCCCOC(=O)Nc1cccc2c(N)cccc12.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate?
The InChIKey is GEHWEIRENFCCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(2,3)24-13-5-4-12-23-18(22)21-17-11-7-8-14-15(17)9-6-10-16(14)20/h6-11H,4-5,12-13,20H2,1-3H3,(H,21,22).
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate?
4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate has a molecular weight of 330.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]butyl N-(5-aminonaphthalen-1-yl)carbamate is sourced from PubChem (CID 11078039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).