5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide

C14H22N4O2 — CID 82011170

IUPAC5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide
SMILESCNC(=O)Nc1ccc(NC(=O)CCC(C)CN)cc1
InChIInChI=1S/C14H22N4O2/c1-10(9-15)3-8-13(19)17-11-4-6-12(7-5-11)18-14(20)16-2/h4-7,10H,3,8-9,15H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyBBHGDGHXJPKBAX-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.75
Rot. Bonds6

About 5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide

5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide (PubChem CID 82011170) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide
PubChem CID82011170
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide
SMILESCNC(=O)Nc1ccc(NC(=O)CCC(C)CN)cc1
InChIInChI=1S/C14H22N4O2/c1-10(9-15)3-8-13(19)17-11-4-6-12(7-5-11)18-14(20)16-2/h4-7,10H,3,8-9,15H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyBBHGDGHXJPKBAX-UHFFFAOYSA-N
XLogP1.75
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-amino-4-methylpentanoyl)amino]benzoic acid
CID 82011492
5-amino-N-(4-methoxyphenyl)-4-methylpentanamide
CID 82017203
4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 43710929
2-amino-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 43710915
1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea
CID 103388916
5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230
5-amino-N-(3-bromo-4-methylphenyl)-4-methylpentanamide
CID 82688133
5-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 82011452
5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide
CID 82013599
5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
CID 82013611
4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide
CID 82010894
(3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 7432118

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide?
The IUPAC name of 5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide (CID 82011170) is 5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide is CNC(=O)Nc1ccc(NC(=O)CCC(C)CN)cc1.
What is the InChIKey of 5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide?
The InChIKey is BBHGDGHXJPKBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(9-15)3-8-13(19)17-11-4-6-12(7-5-11)18-14(20)16-2/h4-7,10H,3,8-9,15H2,1-2H3,(H,17,19)(H2,16,18,20).
What are the key properties of 5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide?
5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide has a molecular weight of 278.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide is sourced from PubChem (CID 82011170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).