2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate

C14H22N2O2 — CID 107876364

IUPAC2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate
SMILESCC(C)C(CNCCOC(N)=O)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(2)13(12-6-4-3-5-7-12)10-16-8-9-18-14(15)17/h3-7,11,13,16H,8-10H2,1-2H3,(H2,15,17)
InChIKeyMOHSFYBKYNUPCI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.11
Rot. Bonds7

About 2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate

2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate (PubChem CID 107876364) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate
PubChem CID107876364
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate
SMILESCC(C)C(CNCCOC(N)=O)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(2)13(12-6-4-3-5-7-12)10-16-8-9-18-14(15)17/h3-7,11,13,16H,8-10H2,1-2H3,(H2,15,17)
InChIKeyMOHSFYBKYNUPCI-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-methyl-2-phenylbutyl)amino]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

3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine
CID 107876087
3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine
CID 107876435
2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate
CID 104898331
N-methyl-2-[(3-methyl-2-phenylbutyl)amino]acetamide
CID 107875908
4-methyl-3-phenylpentanamide
CID 66616845
4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876045
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
4-methoxy-N-(2-methoxyethyl)-3-methyl-2-phenylbutan-1-amine
CID 113473078
2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride
CID 119294102
1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 104952529
(4-hydroxy-3-phenylhexyl) carbamate
CID 175539407
methyl 4-methyl-2-[(3-methyl-2-phenylbutyl)amino]pentanoate
CID 107875948

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate (CID 107876364) is 2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate is CC(C)C(CNCCOC(N)=O)c1ccccc1.
What is the InChIKey of 2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate?
The InChIKey is MOHSFYBKYNUPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)13(12-6-4-3-5-7-12)10-16-8-9-18-14(15)17/h3-7,11,13,16H,8-10H2,1-2H3,(H2,15,17).
What are the key properties of 2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate?
2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate is sourced from PubChem (CID 107876364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).