N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide

C17H26N2O2 — CID 46614381

IUPACN-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(17(20)18-15-6-4-5-7-15)19(2)12-14-8-10-16(21-3)11-9-14/h8-11,13,15H,4-7,12H2,1-3H3,(H,18,20)
InChIKeyNZBZSDWZLMPESR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.57
Rot. Bonds6

About N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide

N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide (PubChem CID 46614381) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
PubChem CID46614381
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(17(20)18-15-6-4-5-7-15)19(2)12-14-8-10-16(21-3)11-9-14/h8-11,13,15H,4-7,12H2,1-3H3,(H,18,20)
InChIKeyNZBZSDWZLMPESR-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8760985
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
CID 17485820
(2R)-N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100515547
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100516413
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 122174537
N-cyclopentyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132615458
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132984664
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 100511836
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100515361
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
CID 132985805
N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611550
2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132610630

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide (CID 46614381) is N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide is COc1ccc(CN(C)C(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is NZBZSDWZLMPESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(17(20)18-15-6-4-5-7-15)19(2)12-14-8-10-16(21-3)11-9-14/h8-11,13,15H,4-7,12H2,1-3H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide?
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 46614381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).