N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide

C20H22N2O2 — CID 110304551

IUPACN-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)C1CC1)NCC(=O)Nc1ccccc1
InChIInChI=1S/C20H22N2O2/c23-19(21-14-20(24)22-17-9-5-2-6-10-17)13-18(16-11-12-16)15-7-3-1-4-8-15/h1-10,16,18H,11-14H2,(H,21,23)(H,22,24)
InChIKeyYWYMWKAAKWMBKF-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.33
Rot. Bonds7

About N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide

N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide (PubChem CID 110304551) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide
PubChem CID110304551
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)C1CC1)NCC(=O)Nc1ccccc1
InChIInChI=1S/C20H22N2O2/c23-19(21-14-20(24)22-17-9-5-2-6-10-17)13-18(16-11-12-16)15-7-3-1-4-8-15/h1-10,16,18H,11-14H2,(H,21,23)(H,22,24)
InChIKeyYWYMWKAAKWMBKF-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide
CID 110615734
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 110426976
4-anilino-2-cyclopropyl-4-oxobutanoic acid
CID 165476532
N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide
CID 110618424
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 110606301
3-cyclopropyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110426734
N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 110423890
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110297293
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide
CID 110304406
3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110615936

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide (CID 110304551) is N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide is O=C(CC(c1ccccc1)C1CC1)NCC(=O)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide?
The InChIKey is YWYMWKAAKWMBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(21-14-20(24)22-17-9-5-2-6-10-17)13-18(16-11-12-16)15-7-3-1-4-8-15/h1-10,16,18H,11-14H2,(H,21,23)(H,22,24).
What are the key properties of N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide?
N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide has a molecular weight of 322.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide is sourced from PubChem (CID 110304551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).