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

C15H23N3O2 — CID 119702770

IUPACN-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
SMILESCCCC(C)(N)C(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-3-9-15(2,16)14(20)18-11-10-17-13(19)12-7-5-4-6-8-12/h4-8H,3,9-11,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyYHSWFORALFUYOX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.05
Rot. Bonds7

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

N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide (PubChem CID 119702770) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
PubChem CID119702770
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
SMILESCCCC(C)(N)C(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-3-9-15(2,16)14(20)18-11-10-17-13(19)12-7-5-4-6-8-12/h4-8H,3,9-11,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyYHSWFORALFUYOX-UHFFFAOYSA-N
XLogP1.05
TPSA84.22 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 ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide
CID 119703544
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
2-amino-N-(3-anilino-3-oxopropyl)-2-methylpentanamide
CID 119785826
4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride
CID 119739022
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
2-amino-N-[2-(2-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119688573
2-amino-2-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 60847685
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851
N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride
CID 119764489
3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119770336
2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide
CID 119723704

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide?
The IUPAC name of N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide (CID 119702770) is N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide?
The canonical SMILES for N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide is CCCC(C)(N)C(=O)NCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide?
The InChIKey is YHSWFORALFUYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-9-15(2,16)14(20)18-11-10-17-13(19)12-7-5-4-6-8-12/h4-8H,3,9-11,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide?
N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide is sourced from PubChem (CID 119702770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).