N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide

C17H26N2O2 — CID 119627481

IUPACN-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cccc(C2(C(=O)NCC(C)(C)N)CCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-16(2,18)12-19-15(20)17(9-4-5-10-17)13-7-6-8-14(11-13)21-3/h6-8,11H,4-5,9-10,12,18H2,1-3H3,(H,19,20)
InChIKeyJDURVGHEXWVZMV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide

N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 119627481) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID119627481
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cccc(C2(C(=O)NCC(C)(C)N)CCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-16(2,18)12-19-15(20)17(9-4-5-10-17)13-7-6-8-14(11-13)21-3/h6-8,11H,4-5,9-10,12,18H2,1-3H3,(H,19,20)
InChIKeyJDURVGHEXWVZMV-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119383272
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid
CID 119255048
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 120891099
N-[2-(aminomethyl)cyclopentyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119602262
N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 111460242
N-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119515549
N-(2-amino-1-cyclopropylethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119614549
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 122134648
N-(1-aminohexan-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119666253
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide (CID 119627481) is N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide is COc1cccc(C2(C(=O)NCC(C)(C)N)CCCC2)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is JDURVGHEXWVZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2,18)12-19-15(20)17(9-4-5-10-17)13-7-6-8-14(11-13)21-3/h6-8,11H,4-5,9-10,12,18H2,1-3H3,(H,19,20).
What are the key properties of N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide?
N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119627481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).