N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide

C18H28N2O2 — CID 119496437

IUPACN-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
SMILESCOc1cc(C2(C(=O)NCCC(C)N)CCCC2)ccc1C
InChIInChI=1S/C18H28N2O2/c1-13-6-7-15(12-16(13)22-3)18(9-4-5-10-18)17(21)20-11-8-14(2)19/h6-7,12,14H,4-5,8-11,19H2,1-3H3,(H,20,21)
InChIKeyWYAPYUPZAOGFCP-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.67
Rot. Bonds6

About N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide

N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 119496437) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
PubChem CID119496437
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
SMILESCOc1cc(C2(C(=O)NCCC(C)N)CCCC2)ccc1C
InChIInChI=1S/C18H28N2O2/c1-13-6-7-15(12-16(13)22-3)18(9-4-5-10-18)17(21)20-11-8-14(2)19/h6-7,12,14H,4-5,8-11,19H2,1-3H3,(H,20,21)
InChIKeyWYAPYUPZAOGFCP-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
CID 119495916
1-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide
CID 120828561
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119495759
1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
CID 119556531
N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95342006
1-(3-methoxy-4-methylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide
CID 120890717
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide
CID 120946527
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
CID 116844399
N-(2-aminoethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119383272
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95283923

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide (CID 119496437) is N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide is COc1cc(C2(C(=O)NCCC(C)N)CCCC2)ccc1C.
What is the InChIKey of N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is WYAPYUPZAOGFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-6-7-15(12-16(13)22-3)18(9-4-5-10-18)17(21)20-11-8-14(2)19/h6-7,12,14H,4-5,8-11,19H2,1-3H3,(H,20,21).
What are the key properties of N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide?
N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119496437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).