(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide

C14H21BrN2O — CID 94721387

IUPAC(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-10(2)9-13(16)14(18)17-8-7-11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyIRPKFHXPMPBSAS-ZDUSSCGKSA-N
MW313.24 g/mol
LogP2.48
Rot. Bonds6

About (2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide

(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide (PubChem CID 94721387) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
PubChem CID94721387
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-10(2)9-13(16)14(18)17-8-7-11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyIRPKFHXPMPBSAS-ZDUSSCGKSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
(2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide
CID 110482514
(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide
CID 119755566
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 61260815
3-amino-N-[2-(4-bromophenyl)ethyl]butanamide;hydrochloride
CID 119709695
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
methyl 2-[2-(4-bromophenyl)ethylcarbamoyl]butanoate
CID 115187958
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide
CID 119781006

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide (CID 94721387) is (2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCCc1ccc(Br)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide?
The InChIKey is IRPKFHXPMPBSAS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(2)9-13(16)14(18)17-8-7-11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide has a molecular weight of 313.24 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 94721387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).