[(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate

C16H26N2O2 — CID 67818589

IUPAC[(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate
SMILESCC[C@](Cc1ccccc1)(NCCC(C)C)OC(N)=O
InChIInChI=1S/C16H26N2O2/c1-4-16(20-15(17)19,18-11-10-13(2)3)12-14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3,(H2,17,19)/t16-/m0/s1
InChIKeyJDYKIQZORXZDEM-INIZCTEOSA-N
MW278.40 g/mol
LogP3.07
Rot. Bonds8

About [(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate

[(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate (PubChem CID 67818589) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate
PubChem CID67818589
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate
SMILESCC[C@](Cc1ccccc1)(NCCC(C)C)OC(N)=O
InChIInChI=1S/C16H26N2O2/c1-4-16(20-15(17)19,18-11-10-13(2)3)12-14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3,(H2,17,19)/t16-/m0/s1
InChIKeyJDYKIQZORXZDEM-INIZCTEOSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-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

2-(3-methylbutylamino)-2-phenylbutanoic acid
CID 114992700
2-methyl-3-phenyl-2-(propylamino)propanamide
CID 114988742
benzyl carbamate;4-methylpentanoic acid
CID 144902087
3-(3-benzylpentan-3-yloxy)-3-oxopropanoic acid
CID 54187155
2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid
CID 114992828
(1,1,1-trichloro-2-hydroxy-3-phenylpropan-2-yl) carbamate
CID 175549972
(2S)-2-benzyl-2-methoxycarbonylbutanoic acid
CID 45141431
2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide
CID 67677430
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
2-phenylpropan-2-yl carbamate;propane
CID 175117543
[(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate
CID 67430934
(2R)-2-amino-2-benzyl-4-methylpentanamide
CID 66678418

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate?
The IUPAC name of [(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate (CID 67818589) is [(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate.
What is the SMILES notation for [(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate?
The canonical SMILES for [(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate is CC[C@](Cc1ccccc1)(NCCC(C)C)OC(N)=O.
What is the InChIKey of [(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate?
The InChIKey is JDYKIQZORXZDEM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-16(20-15(17)19,18-11-10-13(2)3)12-14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3,(H2,17,19)/t16-/m0/s1.
What are the key properties of [(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate?
[(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate has a molecular weight of 278.40 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate is sourced from PubChem (CID 67818589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).