(2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide

C18H30N2O — CID 61273458

IUPAC(2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide
SMILESCCc1ccc(C(NC(=O)[C@@H](N)[C@@H](C)CC)C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-6-13(5)16(19)18(21)20-17(12(3)4)15-10-8-14(7-2)9-11-15/h8-13,16-17H,6-7,19H2,1-5H3,(H,20,21)/t13-,16-,17?/m0/s1
InChIKeyUURJGJHLDXXBEB-CCBDSKLWSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds7

About (2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide (PubChem CID 61273458) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide
PubChem CID61273458
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide
SMILESCCc1ccc(C(NC(=O)[C@@H](N)[C@@H](C)CC)C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-6-13(5)16(19)18(21)20-17(12(3)4)15-10-8-14(7-2)9-11-15/h8-13,16-17H,6-7,19H2,1-5H3,(H,20,21)/t13-,16-,17?/m0/s1
InChIKeyUURJGJHLDXXBEB-CCBDSKLWSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide
CID 43704019
2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 60684128
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,2-diphenylacetamide
CID 7671231
(2R)-2-amino-N-[2-methyl-1-(4-propylphenyl)propyl]propanamide
CID 119273049
3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide
CID 64678600
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 61180745
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 79024949
N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992506
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
[1-(4-ethylphenyl)-2-methylbutyl]hydrazine
CID 105197447

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide (CID 61273458) is (2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide is CCc1ccc(C(NC(=O)[C@@H](N)[C@@H](C)CC)C(C)C)cc1.
What is the InChIKey of (2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide?
The InChIKey is UURJGJHLDXXBEB-CCBDSKLWSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-13(5)16(19)18(21)20-17(12(3)4)15-10-8-14(7-2)9-11-15/h8-13,16-17H,6-7,19H2,1-5H3,(H,20,21)/t13-,16-,17?/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide has a molecular weight of 290.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide is sourced from PubChem (CID 61273458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).