3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide

C16H25N3O2 — CID 119734851

IUPAC3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
SMILESCCCC(C)(N)C(=O)NCc1cccc(C(=O)NCC)c1
InChIInChI=1S/C16H25N3O2/c1-4-9-16(3,17)15(21)19-11-12-7-6-8-13(10-12)14(20)18-5-2/h6-8,10H,4-5,9,11,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyOKISBBVXGJMRNW-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.57
Rot. Bonds7

About 3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide

3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide (PubChem CID 119734851) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
PubChem CID119734851
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
SMILESCCCC(C)(N)C(=O)NCc1cccc(C(=O)NCC)c1
InChIInChI=1S/C16H25N3O2/c1-4-9-16(3,17)15(21)19-11-12-7-6-8-13(10-12)14(20)18-5-2/h6-8,10H,4-5,9,11,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyOKISBBVXGJMRNW-UHFFFAOYSA-N
XLogP1.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119775504
2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide
CID 119757053
2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119740409
3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
CID 119734803
3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119770336
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide
CID 120588630
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 120588629
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119702770
N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide
CID 119703544
2-amino-2-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 60848389
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide?
The IUPAC name of 3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide (CID 119734851) is 3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide?
The canonical SMILES for 3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide is CCCC(C)(N)C(=O)NCc1cccc(C(=O)NCC)c1.
What is the InChIKey of 3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide?
The InChIKey is OKISBBVXGJMRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-9-16(3,17)15(21)19-11-12-7-6-8-13(10-12)14(20)18-5-2/h6-8,10H,4-5,9,11,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide?
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 119734851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).