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

C18H28N2O — CID 60938964

IUPAC2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)N(Cc1ccc(CC)cc1)C1CC1
InChIInChI=1S/C18H28N2O/c1-4-12-18(3,19)17(21)20(16-10-11-16)13-15-8-6-14(5-2)7-9-15/h6-9,16H,4-5,10-13,19H2,1-3H3
InChIKeyLPTSZKIBKUCSRD-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.26
Rot. Bonds7

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

2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide (PubChem CID 60938964) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide
PubChem CID60938964
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)N(Cc1ccc(CC)cc1)C1CC1
InChIInChI=1S/C18H28N2O/c1-4-12-18(3,19)17(21)20(16-10-11-16)13-15-8-6-14(5-2)7-9-15/h6-9,16H,4-5,10-13,19H2,1-3H3
InChIKeyLPTSZKIBKUCSRD-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119681313
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
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516
2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
2-amino-N-benzyl-N-ethyl-2-methylpentanamide
CID 60846660
2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
CID 54868960
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide
CID 61173219
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetamide
CID 56812522
2-amino-N-benzyl-N-ethyl-2-methylpentanamide;hydrochloride
CID 119674328

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide (CID 60938964) is 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide is CCCC(C)(N)C(=O)N(Cc1ccc(CC)cc1)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide?
The InChIKey is LPTSZKIBKUCSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-12-18(3,19)17(21)20(16-10-11-16)13-15-8-6-14(5-2)7-9-15/h6-9,16H,4-5,10-13,19H2,1-3H3.
What are the key properties of 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide?
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide has a molecular weight of 288.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide is sourced from PubChem (CID 60938964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).