3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide

C21H24N2O3 — CID 113115474

IUPAC3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CC1
InChIInChI=1S/C21H24N2O3/c1-16(24)23(19-9-10-19)14-13-21(25)22-18-7-11-20(12-8-18)26-15-17-5-3-2-4-6-17/h2-8,11-12,19H,9-10,13-15H2,1H3,(H,22,25)
InChIKeyKNZSAUPZDCXBLC-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.61
Rot. Bonds8

About 3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide

3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 113115474) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID113115474
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CC1
InChIInChI=1S/C21H24N2O3/c1-16(24)23(19-9-10-19)14-13-21(25)22-18-7-11-20(12-8-18)26-15-17-5-3-2-4-6-17/h2-8,11-12,19H,9-10,13-15H2,1H3,(H,22,25)
InChIKeyKNZSAUPZDCXBLC-UHFFFAOYSA-N
XLogP3.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(cyclopentyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113159367
3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113115673
2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113166215
3-[methylsulfonyl(propyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113136007
3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide
CID 113115426
2-[acetyl(benzyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113161318
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113160544
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 46597632
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide (CID 113115474) is 3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CC1.
What is the InChIKey of 3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is KNZSAUPZDCXBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16(24)23(19-9-10-19)14-13-21(25)22-18-7-11-20(12-8-18)26-15-17-5-3-2-4-6-17/h2-8,11-12,19H,9-10,13-15H2,1H3,(H,22,25).
What are the key properties of 3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 113115474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).