3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide

C16H25N3O2 — CID 115431854

IUPAC3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide
SMILESCCC(CC)(CN)C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-5-16(6-2,11-17)15(21)18-13-9-7-8-12(10-13)14(20)19(3)4/h7-10H,5-6,11,17H2,1-4H3,(H,18,21)
InChIKeyCQNQQJRJGOVTCK-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.09
Rot. Bonds6

About 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide

3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide (PubChem CID 115431854) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide
PubChem CID115431854
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide
SMILESCCC(CC)(CN)C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-5-16(6-2,11-17)15(21)18-13-9-7-8-12(10-13)14(20)19(3)4/h7-10H,5-6,11,17H2,1-4H3,(H,18,21)
InChIKeyCQNQQJRJGOVTCK-UHFFFAOYSA-N
XLogP2.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide
CID 115432410
3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
CID 81490003
2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide
CID 115431812
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115452538
2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 115431915
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
CID 134063370
3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
CID 76887735
2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate
CID 79345340
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-2-ethylbutanamide
CID 115431890
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
CID 119701572

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide (CID 115431854) is 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide is CCC(CC)(CN)C(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is CQNQQJRJGOVTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-16(6-2,11-17)15(21)18-13-9-7-8-12(10-13)14(20)19(3)4/h7-10H,5-6,11,17H2,1-4H3,(H,18,21).
What are the key properties of 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide?
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 115431854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).