3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide

C25H26N4O3 — CID 55762719

IUPAC3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C)c1ccccc1
InChIInChI=1S/C25H26N4O3/c1-17-13-14-21(28-25(32)27-20-11-7-4-8-12-20)15-22(17)29-24(31)16-23(26-18(2)30)19-9-5-3-6-10-19/h3-15,23H,16H2,1-2H3,(H,26,30)(H,29,31)(H2,27,28,32)
InChIKeyNLLUZHHJDPHUSM-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.85
Rot. Bonds7

About 3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide

3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide (PubChem CID 55762719) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide
PubChem CID55762719
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C)c1ccccc1
InChIInChI=1S/C25H26N4O3/c1-17-13-14-21(28-25(32)27-20-11-7-4-8-12-20)15-22(17)29-24(31)16-23(26-18(2)30)19-9-5-3-6-10-19/h3-15,23H,16H2,1-2H3,(H,26,30)(H,29,31)(H2,27,28,32)
InChIKeyNLLUZHHJDPHUSM-UHFFFAOYSA-N
XLogP4.85
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
methyl 3-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-4-methylbenzoate
CID 8920175
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55708659
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
(3R)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141022
(3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141020
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 4792587
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide (CID 55762719) is 3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide is CC(=O)NC(CC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide?
The InChIKey is NLLUZHHJDPHUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17-13-14-21(28-25(32)27-20-11-7-4-8-12-20)15-22(17)29-24(31)16-23(26-18(2)30)19-9-5-3-6-10-19/h3-15,23H,16H2,1-2H3,(H,26,30)(H,29,31)(H2,27,28,32).
What are the key properties of 3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide?
3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide has a molecular weight of 430.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 55762719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).