5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide

C14H21ClN2O — CID 112517472

IUPAC5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide
SMILESCCC(CCCN)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-3-11(5-4-8-16)14(18)17-12-7-6-10(2)13(15)9-12/h6-7,9,11H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyPLLVKEYUCWVKES-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.35
Rot. Bonds6

About 5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide

5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide (PubChem CID 112517472) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide.

Molecular Properties

Compound Name5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide
PubChem CID112517472
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide
SMILESCCC(CCCN)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-3-11(5-4-8-16)14(18)17-12-7-6-10(2)13(15)9-12/h6-7,9,11H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyPLLVKEYUCWVKES-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
CID 65224354
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
5-amino-N-(3-aminophenyl)-2-ethylpentanamide
CID 164939498
5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide
CID 112517469
N-(3-bromo-4-methylphenyl)-2-ethylhexanamide
CID 55223159
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzoic acid
CID 112547679
2-chloro-5-(2-ethylbutanoylamino)benzoic acid
CID 60778386
2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
CID 79336918
N'-(3-chloro-4-methylphenyl)butane-1,4-diamine
CID 94256638
5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide?
The IUPAC name of 5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide (CID 112517472) is 5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide.
What is the SMILES notation for 5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide?
The canonical SMILES for 5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide is CCC(CCCN)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide?
The InChIKey is PLLVKEYUCWVKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-11(5-4-8-16)14(18)17-12-7-6-10(2)13(15)9-12/h6-7,9,11H,3-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide?
5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide has a molecular weight of 268.79 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide is sourced from PubChem (CID 112517472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).