3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide

C18H26N2O2 — CID 119760251

IUPAC3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(NC(=O)C3CCC(N)C3)CCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-22-16-8-5-14(6-9-16)18(10-2-3-11-18)20-17(21)13-4-7-15(19)12-13/h5-6,8-9,13,15H,2-4,7,10-12,19H2,1H3,(H,20,21)
InChIKeyBYMVCKUXSXHZRV-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.71
Rot. Bonds4

About 3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide

3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide (PubChem CID 119760251) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide
PubChem CID119760251
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(NC(=O)C3CCC(N)C3)CCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-22-16-8-5-14(6-9-16)18(10-2-3-11-18)20-17(21)13-4-7-15(19)12-13/h5-6,8-9,13,15H,2-4,7,10-12,19H2,1H3,(H,20,21)
InChIKeyBYMVCKUXSXHZRV-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide (CID 119760251) is 3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide is COc1ccc(C2(NC(=O)C3CCC(N)C3)CCCC2)cc1.
What is the InChIKey of 3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide?
The InChIKey is BYMVCKUXSXHZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-16-8-5-14(6-9-16)18(10-2-3-11-18)20-17(21)13-4-7-15(19)12-13/h5-6,8-9,13,15H,2-4,7,10-12,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide?
3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119760251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).