N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide

C20H23NO2 — CID 46539903

IUPACN-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H23NO2/c1-23-18-12-7-15(8-13-18)9-14-19(22)21-20(17-10-11-17)16-5-3-2-4-6-16/h2-8,12-13,17,20H,9-11,14H2,1H3,(H,21,22)
InChIKeyRWCGCWSXEOOJEJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.90
Rot. Bonds7

About N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide

N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 46539903) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID46539903
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H23NO2/c1-23-18-12-7-15(8-13-18)9-14-19(22)21-20(17-10-11-17)16-5-3-2-4-6-16/h2-8,12-13,17,20H,9-11,14H2,1H3,(H,21,22)
InChIKeyRWCGCWSXEOOJEJ-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 2964253
N-[cyclopropyl(phenyl)methyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 16580901
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218911
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 46509264
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 52626231
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 42925489
3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 8854024

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide (CID 46539903) is N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC(c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is RWCGCWSXEOOJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-23-18-12-7-15(8-13-18)9-14-19(22)21-20(17-10-11-17)16-5-3-2-4-6-16/h2-8,12-13,17,20H,9-11,14H2,1H3,(H,21,22).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide?
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 309.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 46539903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).