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

C20H24N2O2 — CID 119805976

IUPAC3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(-c2ccc(CNC(=O)C3CCC(N)C3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-7-16(8-11-19)15-4-2-14(3-5-15)13-22-20(23)17-6-9-18(21)12-17/h2-5,7-8,10-11,17-18H,6,9,12-13,21H2,1H3,(H,22,23)
InChIKeyXFPIMDMZVFWSMA-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.11
Rot. Bonds5

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

3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119805976) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID119805976
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(-c2ccc(CNC(=O)C3CCC(N)C3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-7-16(8-11-19)15-4-2-14(3-5-15)13-22-20(23)17-6-9-18(21)12-17/h2-5,7-8,10-11,17-18H,6,9,12-13,21H2,1H3,(H,22,23)
InChIKeyXFPIMDMZVFWSMA-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 115161488
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide
CID 119815744
methyl 4-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenoxy]butanoate
CID 119787943
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119773406
3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119877262
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119767075
N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119806005
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide (CID 119805976) is 3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide is COc1ccc(-c2ccc(CNC(=O)C3CCC(N)C3)cc2)cc1.
What is the InChIKey of 3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is XFPIMDMZVFWSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-10-7-16(8-11-19)15-4-2-14(3-5-15)13-22-20(23)17-6-9-18(21)12-17/h2-5,7-8,10-11,17-18H,6,9,12-13,21H2,1H3,(H,22,23).
What are the key properties of 3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide?
3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119805976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).