N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide

C18H26N2O2 — CID 119602045

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C18H26N2O2/c1-2-13-6-8-14(9-7-13)17(21)10-11-18(22)20-16-5-3-4-15(16)12-19/h6-9,15-16H,2-5,10-12,19H2,1H3,(H,20,22)
InChIKeyRKRNMBYLVBTYTI-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.46
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide

N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide (PubChem CID 119602045) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide
PubChem CID119602045
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C18H26N2O2/c1-2-13-6-8-14(9-7-13)17(21)10-11-18(22)20-16-5-3-4-15(16)12-19/h6-9,15-16H,2-5,10-12,19H2,1H3,(H,20,22)
InChIKeyRKRNMBYLVBTYTI-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide;hydrochloride
CID 119610943
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethylphenoxy)acetamide
CID 119601137
N-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
CID 119601397
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
CID 119609792
N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide
CID 119609944
N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119604897
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119600531
4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120555617
N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride
CID 119604127
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide (CID 119602045) is N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)NC2CCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide?
The InChIKey is RKRNMBYLVBTYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-13-6-8-14(9-7-13)17(21)10-11-18(22)20-16-5-3-4-15(16)12-19/h6-9,15-16H,2-5,10-12,19H2,1H3,(H,20,22).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide?
N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide has a molecular weight of 302.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 119602045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).