N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

C17H24N2O2 — CID 133128043

IUPACN-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@@H]3CC[C@@H]3N)CCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-21-13-6-4-12(5-7-13)17(10-2-3-11-17)16(20)19-15-9-8-14(15)18/h4-7,14-15H,2-3,8-11,18H2,1H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyJTYBFZIGBBFVRS-LSDHHAIUSA-N
MW288.39 g/mol
LogP2.11
Rot. Bonds4

About N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 133128043) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID133128043
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@@H]3CC[C@@H]3N)CCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-21-13-6-4-12(5-7-13)17(10-2-3-11-17)16(20)19-15-9-8-14(15)18/h4-7,14-15H,2-3,8-11,18H2,1H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyJTYBFZIGBBFVRS-LSDHHAIUSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 86949745
N-[2-(aminomethyl)cyclopentyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119602262
4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid
CID 21099738
1-(4-methoxyphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214855
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 56914468
3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237635
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668870

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (CID 133128043) is N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)N[C@@H]3CC[C@@H]3N)CCCC2)cc1.
What is the InChIKey of N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is JTYBFZIGBBFVRS-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-13-6-4-12(5-7-13)17(10-2-3-11-17)16(20)19-15-9-8-14(15)18/h4-7,14-15H,2-3,8-11,18H2,1H3,(H,19,20)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 133128043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).