3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide

C22H28N2O3 — CID 119952019

IUPAC3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide
SMILESCOc1ccc(CNC(=O)CC(N)c2ccccc2)c(OC2CCCC2)c1
InChIInChI=1S/C22H28N2O3/c1-26-19-12-11-17(21(13-19)27-18-9-5-6-10-18)15-24-22(25)14-20(23)16-7-3-2-4-8-16/h2-4,7-8,11-13,18,20H,5-6,9-10,14-15,23H2,1H3,(H,24,25)
InChIKeyRJOUFLIVQCPRCT-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.72
Rot. Bonds8

About 3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide

3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide (PubChem CID 119952019) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide
PubChem CID119952019
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide
SMILESCOc1ccc(CNC(=O)CC(N)c2ccccc2)c(OC2CCCC2)c1
InChIInChI=1S/C22H28N2O3/c1-26-19-12-11-17(21(13-19)27-18-9-5-6-10-18)15-24-22(25)14-20(23)16-7-3-2-4-8-16/h2-4,7-8,11-13,18,20H,5-6,9-10,14-15,23H2,1H3,(H,24,25)
InChIKeyRJOUFLIVQCPRCT-UHFFFAOYSA-N
XLogP3.72
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride
CID 119334420
2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 120593283
4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119142062
(2S)-2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119802569
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119802521
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119802538
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
CID 146107018
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334428
2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
N-[2-[[N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111989597
3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide
CID 119952264

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide (CID 119952019) is 3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide is COc1ccc(CNC(=O)CC(N)c2ccccc2)c(OC2CCCC2)c1.
What is the InChIKey of 3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide?
The InChIKey is RJOUFLIVQCPRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-19-12-11-17(21(13-19)27-18-9-5-6-10-18)15-24-22(25)14-20(23)16-7-3-2-4-8-16/h2-4,7-8,11-13,18,20H,5-6,9-10,14-15,23H2,1H3,(H,24,25).
What are the key properties of 3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide?
3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide has a molecular weight of 368.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 119952019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).