(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide

C17H26N2O — CID 61165448

IUPAC(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
SMILESCc1ccc(CN(C(=O)[C@@H](N)CC(C)C)C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)10-16(18)17(20)19(15-8-9-15)11-14-6-4-13(3)5-7-14/h4-7,12,15-16H,8-11,18H2,1-3H3/t16-/m0/s1
InChIKeyRZIDTSTVYOHFOT-INIZCTEOSA-N
MW274.41 g/mol
LogP2.86
Rot. Bonds6

About (2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide

(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide (PubChem CID 61165448) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
PubChem CID61165448
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
SMILESCc1ccc(CN(C(=O)[C@@H](N)CC(C)C)C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)10-16(18)17(20)19(15-8-9-15)11-14-6-4-13(3)5-7-14/h4-7,12,15-16H,8-11,18H2,1-3H3/t16-/m0/s1
InChIKeyRZIDTSTVYOHFOT-INIZCTEOSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Smac peptido-mimetic 1
CID 11200722
Ksp-IA
CID 24901494
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
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N~2~-(cyclohexylcarbonyl)-N-(1-phenylethyl)leucinamide
CID 16003816
(5Z,8Z,11Z,14Z)-N-benzylicosa-5,8,11,14-tetraenamide
CID 101733925
(5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide
CID 162516979
N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
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CID 209457

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide (CID 61165448) is (2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide is Cc1ccc(CN(C(=O)[C@@H](N)CC(C)C)C2CC2)cc1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide?
The InChIKey is RZIDTSTVYOHFOT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)10-16(18)17(20)19(15-8-9-15)11-14-6-4-13(3)5-7-14/h4-7,12,15-16H,8-11,18H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide?
(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide has a molecular weight of 274.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide is sourced from PubChem (CID 61165448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).