N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide

C23H30N4O3 — CID 46585355

IUPACN-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)C(CC(C)C)NC(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C23H30N4O3/c1-15(2)12-20(27-23(30)25-14-17-10-8-16(3)9-11-17)22(29)26-19-7-5-6-18(13-19)21(28)24-4/h5-11,13,15,20H,12,14H2,1-4H3,(H,24,28)(H,26,29)(H2,25,27,30)
InChIKeySNPOEZLIRWJMKV-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.21
Rot. Bonds8

About N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide

N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide (PubChem CID 46585355) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide
PubChem CID46585355
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)C(CC(C)C)NC(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C23H30N4O3/c1-15(2)12-20(27-23(30)25-14-17-10-8-16(3)9-11-17)22(29)26-19-7-5-6-18(13-19)21(28)24-4/h5-11,13,15,20H,12,14H2,1-4H3,(H,24,28)(H,26,29)(H2,25,27,30)
InChIKeySNPOEZLIRWJMKV-UHFFFAOYSA-N
XLogP3.21
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide with MolForge

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Related Compounds

4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride
CID 119501003
N-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzamide
CID 18431848
3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide
CID 46585354
N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
CID 47033154
3-(2-chloropropanoylamino)-N-methylbenzamide
CID 43244627
(2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 35996003
4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide
CID 86986467
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 119719988
N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide
CID 51080300
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388
4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119450650
4-methyl-2-(3-methylbutanoylamino)-N-[3-[[4-methyl-2-(3-methylbutanoylamino)pentanoyl]amino]phenyl]pentanamide
CID 74926917

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide (CID 46585355) is N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)C(CC(C)C)NC(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide?
The InChIKey is SNPOEZLIRWJMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-15(2)12-20(27-23(30)25-14-17-10-8-16(3)9-11-17)22(29)26-19-7-5-6-18(13-19)21(28)24-4/h5-11,13,15,20H,12,14H2,1-4H3,(H,24,28)(H,26,29)(H2,25,27,30).
What are the key properties of N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide?
N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide has a molecular weight of 410.52 g/mol, XLogP of 3.21, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide is sourced from PubChem (CID 46585355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).