2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide

C15H23N3O2 — CID 65226220

IUPAC2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide
SMILESCCCC(CN)C(=O)Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C15H23N3O2/c1-4-7-11(10-16)14(19)17-13-9-6-5-8-12(13)15(20)18(2)3/h5-6,8-9,11H,4,7,10,16H2,1-3H3,(H,17,19)
InChIKeyKDKBVDRTELOMQT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.70
Rot. Bonds6

About 2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide

2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide (PubChem CID 65226220) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide
PubChem CID65226220
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide
SMILESCCCC(CN)C(=O)Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C15H23N3O2/c1-4-7-11(10-16)14(19)17-13-9-6-5-8-12(13)15(20)18(2)3/h5-6,8-9,11H,4,7,10,16H2,1-3H3,(H,17,19)
InChIKeyKDKBVDRTELOMQT-UHFFFAOYSA-N
XLogP1.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetylphenyl)-2-propylpentanamide
CID 113329842
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide
CID 65229574
2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide
CID 65225946
2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide
CID 60847281
2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
CID 81075404
N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196582
2-(2-ethylbutanoylamino)benzamide
CID 1214109
2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
CID 103154460
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
CID 65228312
2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide
CID 65225963
N-(2-bromophenyl)-2-propylpentanamide
CID 115532233
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide (CID 65226220) is 2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide is CCCC(CN)C(=O)Nc1ccccc1C(=O)N(C)C.
What is the InChIKey of 2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide?
The InChIKey is KDKBVDRTELOMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-7-11(10-16)14(19)17-13-9-6-5-8-12(13)15(20)18(2)3/h5-6,8-9,11H,4,7,10,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide?
2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 65226220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).