N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide

C16H23N3O2 — CID 119307278

IUPACN-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide
SMILESCC(=O)Nc1ccc(CCNC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-12(20)19-14-6-4-13(5-7-14)8-11-18-15(21)16(17)9-2-3-10-16/h4-7H,2-3,8-11,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyFICUHPWSLUMFOP-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.58
Rot. Bonds5

About N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide

N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide (PubChem CID 119307278) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide
PubChem CID119307278
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide
SMILESCC(=O)Nc1ccc(CCNC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-12(20)19-14-6-4-13(5-7-14)8-11-18-15(21)16(17)9-2-3-10-16/h4-7H,2-3,8-11,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyFICUHPWSLUMFOP-UHFFFAOYSA-N
XLogP1.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119310374
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 39058425
1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119281754
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 81172071
1-amino-N-[2-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189931
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189921
1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119315486
ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate
CID 119338388
1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide
CID 119337924

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide?
The IUPAC name of N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide (CID 119307278) is N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide is CC(=O)Nc1ccc(CCNC(=O)C2(N)CCCC2)cc1.
What is the InChIKey of N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide?
The InChIKey is FICUHPWSLUMFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(20)19-14-6-4-13(5-7-14)8-11-18-15(21)16(17)9-2-3-10-16/h4-7H,2-3,8-11,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide?
N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide is sourced from PubChem (CID 119307278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).