2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide

C22H26N4O4 — CID 56573015

IUPAC2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1C(=O)NCCC(N)=O)c1ccc(C)cc1
InChIInChI=1S/C22H26N4O4/c1-14-7-9-16(10-8-14)19(25-15(2)27)13-21(29)26-18-6-4-3-5-17(18)22(30)24-12-11-20(23)28/h3-10,19H,11-13H2,1-2H3,(H2,23,28)(H,24,30)(H,25,27)(H,26,29)
InChIKeyXVVRXXRTEPFGIU-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.81
Rot. Bonds9

About 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide

2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide (PubChem CID 56573015) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide.

Molecular Properties

Compound Name2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide
PubChem CID56573015
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1C(=O)NCCC(N)=O)c1ccc(C)cc1
InChIInChI=1S/C22H26N4O4/c1-14-7-9-16(10-8-14)19(25-15(2)27)13-21(29)26-18-6-4-3-5-17(18)22(30)24-12-11-20(23)28/h3-10,19H,11-13H2,1-2H3,(H2,23,28)(H,24,30)(H,25,27)(H,26,29)
InChIKeyXVVRXXRTEPFGIU-UHFFFAOYSA-N
XLogP1.81
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide
CID 51312955
3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide
CID 51194779
N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 46520523
3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760
3-acetamido-3-(4-methylphenyl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46691343
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide
CID 46690602
3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 51314280
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380420
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095

Frequently Asked Questions

What is the IUPAC name of 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide?
The IUPAC name of 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide (CID 56573015) is 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide.
What is the SMILES notation for 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide?
The canonical SMILES for 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide is CC(=O)NC(CC(=O)Nc1ccccc1C(=O)NCCC(N)=O)c1ccc(C)cc1.
What is the InChIKey of 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide?
The InChIKey is XVVRXXRTEPFGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-14-7-9-16(10-8-14)19(25-15(2)27)13-21(29)26-18-6-4-3-5-17(18)22(30)24-12-11-20(23)28/h3-10,19H,11-13H2,1-2H3,(H2,23,28)(H,24,30)(H,25,27)(H,26,29).
What are the key properties of 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide?
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide has a molecular weight of 410.47 g/mol, XLogP of 1.81, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide is sourced from PubChem (CID 56573015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).