2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide

C22H28N2O2 — CID 122174537

IUPAC2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C22H28N2O2/c1-24(16-17-8-4-3-5-9-17)21(18-12-14-20(26-2)15-13-18)22(25)23-19-10-6-7-11-19/h3-5,8-9,12-15,19,21H,6-7,10-11,16H2,1-2H3,(H,23,25)
InChIKeyLUHBMRWTVAZRGL-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.93
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide

2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide (PubChem CID 122174537) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
PubChem CID122174537
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C22H28N2O2/c1-24(16-17-8-4-3-5-9-17)21(18-12-14-20(26-2)15-13-18)22(25)23-19-10-6-7-11-19/h3-5,8-9,12-15,19,21H,6-7,10-11,16H2,1-2H3,(H,23,25)
InChIKeyLUHBMRWTVAZRGL-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-methoxyphenyl)acetamide
CID 86810113
N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 46823044
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 86809790
(3R)-N-benzyl-N-[(1S)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1144311
N-[2-[benzyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 40836398
N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide
CID 17498608
(2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide
CID 8770772
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132984664
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100515361
(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide
CID 94233334
2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 3216570

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide (CID 122174537) is 2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide is COc1ccc(C(C(=O)NC2CCCC2)N(C)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide?
The InChIKey is LUHBMRWTVAZRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-24(16-17-8-4-3-5-9-17)21(18-12-14-20(26-2)15-13-18)22(25)23-19-10-6-7-11-19/h3-5,8-9,12-15,19,21H,6-7,10-11,16H2,1-2H3,(H,23,25).
What are the key properties of 2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide?
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 122174537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).