2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate

C16H20N2O2 — CID 79337527

IUPAC2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate
SMILESCC(C)NCCOC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-12(2)17-10-11-20-16(19)18-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,17H,10-11H2,1-2H3,(H,18,19)
InChIKeyGRYBHBGRHOFDSO-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.39
Rot. Bonds5

About 2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate

2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate (PubChem CID 79337527) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate
PubChem CID79337527
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate
SMILESCC(C)NCCOC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-12(2)17-10-11-20-16(19)18-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,17H,10-11H2,1-2H3,(H,18,19)
InChIKeyGRYBHBGRHOFDSO-UHFFFAOYSA-N
XLogP3.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate 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

1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664928
[(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate
CID 102238094
N-naphthalen-1-yl-N'-propan-2-ylethane-1,2-diamine
CID 115206310
2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate
CID 79338343
2-[[(1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-naphthalen-1-ylcarbamate
CID 2249290
2-[[(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]ethyl N-naphthalen-1-ylcarbamate
CID 2249292
4-methoxybutyl N-[5-(4-methoxybutoxycarbonylamino)naphthalen-1-yl]carbamate
CID 86204036
2-ethylhexyl N-naphthalen-1-ylcarbamate
CID 15066270
naphthalen-1-ylurea;hydrochloride
CID 141142203
[(E)-[(3E)-3-(naphthalen-1-ylcarbamoyloxyimino)butan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
CID 43835675
1-naphthalen-1-yl-2-propan-2-ylguanidine
CID 55068402
1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea
CID 104877165

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate?
The IUPAC name of 2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate (CID 79337527) is 2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate.
What is the SMILES notation for 2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate?
The canonical SMILES for 2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate is CC(C)NCCOC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate?
The InChIKey is GRYBHBGRHOFDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(2)17-10-11-20-16(19)18-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,17H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate?
2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate has a molecular weight of 272.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 79337527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).