3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide

C15H23N3O2 — CID 119770336

IUPAC3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
SMILESCCCC(C)(N)C(=O)NCCc1cccc(C(N)=O)c1
InChIInChI=1S/C15H23N3O2/c1-3-8-15(2,17)14(20)18-9-7-11-5-4-6-12(10-11)13(16)19/h4-6,10H,3,7-9,17H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyYYVMHVLZLDCIRB-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.96
Rot. Bonds7

About 3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide

3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide (PubChem CID 119770336) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
PubChem CID119770336
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
SMILESCCCC(C)(N)C(=O)NCCc1cccc(C(N)=O)c1
InChIInChI=1S/C15H23N3O2/c1-3-8-15(2,17)14(20)18-9-7-11-5-4-6-12(10-11)13(16)19/h4-6,10H,3,7-9,17H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyYYVMHVLZLDCIRB-UHFFFAOYSA-N
XLogP0.96
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510
2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119742406
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851
2-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119788074
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119702770
2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide
CID 119774865
2-amino-2-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 60847685
2-amino-2-methyl-N-(2-phenylethyl)butanamide
CID 73062281
3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide
CID 75419884
2-amino-2-methyl-N-(2-naphthalen-1-ylethyl)pentanamide;hydrochloride
CID 119722534

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide?
The IUPAC name of 3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide (CID 119770336) is 3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide?
The canonical SMILES for 3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide is CCCC(C)(N)C(=O)NCCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide?
The InChIKey is YYVMHVLZLDCIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-8-15(2,17)14(20)18-9-7-11-5-4-6-12(10-11)13(16)19/h4-6,10H,3,7-9,17H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of 3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide?
3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide is sourced from PubChem (CID 119770336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).