(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide

C18H28N2O — CID 61173219

IUPAC(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide
SMILESCCc1ccc(CN(C(=O)[C@@H](N)C(C)CC)C2CC2)cc1
InChIInChI=1S/C18H28N2O/c1-4-13(3)17(19)18(21)20(16-10-11-16)12-15-8-6-14(5-2)7-9-15/h6-9,13,16-17H,4-5,10-12,19H2,1-3H3/t13?,17-/m0/s1
InChIKeyWYNLAOXLUGPHGB-RUINGEJQSA-N
MW288.44 g/mol
LogP3.11
Rot. Bonds7

About (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide

(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide (PubChem CID 61173219) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide
PubChem CID61173219
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide
SMILESCCc1ccc(CN(C(=O)[C@@H](N)C(C)CC)C2CC2)cc1
InChIInChI=1S/C18H28N2O/c1-4-13(3)17(19)18(21)20(16-10-11-16)12-15-8-6-14(5-2)7-9-15/h6-9,13,16-17H,4-5,10-12,19H2,1-3H3/t13?,17-/m0/s1
InChIKeyWYNLAOXLUGPHGB-RUINGEJQSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide
CID 61163913
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 76895226
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 61165442
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide
CID 106112024
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
CID 43460533
2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 77144549
3-[[(2S,3S)-2-amino-3-methylpentanoyl]-cyclopropylamino]propanoic acid
CID 61161442
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide (CID 61173219) is (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide is CCc1ccc(CN(C(=O)[C@@H](N)C(C)CC)C2CC2)cc1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide?
The InChIKey is WYNLAOXLUGPHGB-RUINGEJQSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-13(3)17(19)18(21)20(16-10-11-16)12-15-8-6-14(5-2)7-9-15/h6-9,13,16-17H,4-5,10-12,19H2,1-3H3/t13?,17-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide?
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide has a molecular weight of 288.44 g/mol, XLogP of 3.11, 7 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-N-[(4-ethylphenyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 61173219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).