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

C16H25N3O2 — CID 119755566

IUPAC(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide
SMILESCC(=O)Nc1ccc(CCNC(=O)[C@@H](N)CC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-11(2)10-15(17)16(21)18-9-8-13-4-6-14(7-5-13)19-12(3)20/h4-7,11,15H,8-10,17H2,1-3H3,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKeyTZZQLXYUHZZPCE-HNNXBMFYSA-N
MW291.39 g/mol
LogP1.68
Rot. Bonds7

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

(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide (PubChem CID 119755566) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide
PubChem CID119755566
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide
SMILESCC(=O)Nc1ccc(CCNC(=O)[C@@H](N)CC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-11(2)10-15(17)16(21)18-9-8-13-4-6-14(7-5-13)19-12(3)20/h4-7,11,15H,8-10,17H2,1-3H3,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKeyTZZQLXYUHZZPCE-HNNXBMFYSA-N
XLogP1.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
CID 104903275
N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
CID 120989107
(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 94721387
(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
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-(2-phenylethyl)benzamide;hydrochloride
CID 119749201
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 61260815
(2S)-N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-2-amino-4-methylpentanamide
CID 119792493
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 104902669
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide
CID 119723638

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide?
The IUPAC name of (2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide (CID 119755566) is (2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide.
What is the SMILES notation for (2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide?
The canonical SMILES for (2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide is CC(=O)Nc1ccc(CCNC(=O)[C@@H](N)CC(C)C)cc1.
What is the InChIKey of (2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide?
The InChIKey is TZZQLXYUHZZPCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)10-15(17)16(21)18-9-8-13-4-6-14(7-5-13)19-12(3)20/h4-7,11,15H,8-10,17H2,1-3H3,(H,18,21)(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide?
(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide has a molecular weight of 291.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide is sourced from PubChem (CID 119755566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).