N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide

C20H23NO3 — CID 46509264

IUPACN-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H23NO3/c1-14(24-18-12-10-17(23-2)11-13-18)20(22)21-19(16-8-9-16)15-6-4-3-5-7-15/h3-7,10-14,16,19H,8-9H2,1-2H3,(H,21,22)
InChIKeyICIOTWQVICWOQQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.73
Rot. Bonds7

About N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide

N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 46509264) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID46509264
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H23NO3/c1-14(24-18-12-10-17(23-2)11-13-18)20(22)21-19(16-8-9-16)15-6-4-3-5-7-15/h3-7,10-14,16,19H,8-9H2,1-2H3,(H,21,22)
InChIKeyICIOTWQVICWOQQ-UHFFFAOYSA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide
CID 46449829
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-(1-cyclopropylethyl)-2-(4-methoxyphenoxy)propanamide
CID 47140492
2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid
CID 62696487
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903
N-[cyclopentyl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 2964253
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 65229389
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide
CID 62837500
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 65229390

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide (CID 46509264) is N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)NC(c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is ICIOTWQVICWOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(24-18-12-10-17(23-2)11-13-18)20(22)21-19(16-8-9-16)15-6-4-3-5-7-15/h3-7,10-14,16,19H,8-9H2,1-2H3,(H,21,22).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide?
N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 325.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 46509264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).