2-(1-phenylbutan-2-ylamino)ethyl carbamate

C13H20N2O2 — CID 83212188

IUPAC2-(1-phenylbutan-2-ylamino)ethyl carbamate
SMILESCCC(Cc1ccccc1)NCCOC(N)=O
InChIInChI=1S/C13H20N2O2/c1-2-12(15-8-9-17-13(14)16)10-11-6-4-3-5-7-11/h3-7,12,15H,2,8-10H2,1H3,(H2,14,16)
InChIKeyCIDDUGFGDUEDSA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.69
Rot. Bonds7

About 2-(1-phenylbutan-2-ylamino)ethyl carbamate

2-(1-phenylbutan-2-ylamino)ethyl carbamate (PubChem CID 83212188) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(1-phenylbutan-2-ylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(1-phenylbutan-2-ylamino)ethyl carbamate
PubChem CID83212188
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(1-phenylbutan-2-ylamino)ethyl carbamate
SMILESCCC(Cc1ccccc1)NCCOC(N)=O
InChIInChI=1S/C13H20N2O2/c1-2-12(15-8-9-17-13(14)16)10-11-6-4-3-5-7-11/h3-7,12,15H,2,8-10H2,1H3,(H2,14,16)
InChIKeyCIDDUGFGDUEDSA-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-phenylbutan-2-ylamino)ethyl 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-(1-phenylbutan-2-ylamino)butanamide
CID 79007526
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
2-(1,2-diphenylethylamino)ethyl carbamate
CID 83191437
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
N-(3-methoxypropyl)-1-phenylbutan-2-amine
CID 79007280
2,2-dimethyl-4-(1-phenylbutan-2-ylamino)butanoic acid
CID 122127230
N-(4-methoxybutyl)-1-phenylbutan-2-amine
CID 79008478
[(2S)-2-(methylamino)-3-phenylpropyl] carbamate
CID 118340486
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
2-(2-ethoxyethylamino)-3-phenylpropan-1-ol
CID 63261508
[(2R)-2-acetamido-3-phenylpropyl] carbamate
CID 138394001
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbutan-2-ylamino)ethyl carbamate?
The IUPAC name of 2-(1-phenylbutan-2-ylamino)ethyl carbamate (CID 83212188) is 2-(1-phenylbutan-2-ylamino)ethyl carbamate.
What is the SMILES notation for 2-(1-phenylbutan-2-ylamino)ethyl carbamate?
The canonical SMILES for 2-(1-phenylbutan-2-ylamino)ethyl carbamate is CCC(Cc1ccccc1)NCCOC(N)=O.
What is the InChIKey of 2-(1-phenylbutan-2-ylamino)ethyl carbamate?
The InChIKey is CIDDUGFGDUEDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-12(15-8-9-17-13(14)16)10-11-6-4-3-5-7-11/h3-7,12,15H,2,8-10H2,1H3,(H2,14,16).
What are the key properties of 2-(1-phenylbutan-2-ylamino)ethyl carbamate?
2-(1-phenylbutan-2-ylamino)ethyl carbamate has a molecular weight of 236.31 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbutan-2-ylamino)ethyl carbamate is sourced from PubChem (CID 83212188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).