2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide

C16H24N2O2 — CID 119657379

IUPAC2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
SMILESCC(=O)c1ccccc1C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C16H24N2O2/c1-11(2)15(17)9-10-18(4)16(20)14-8-6-5-7-13(14)12(3)19/h5-8,11,15H,9-10,17H2,1-4H3
InChIKeyREXTVNWKZIJZQO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.33
Rot. Bonds6

About 2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide

2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide (PubChem CID 119657379) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
PubChem CID119657379
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
SMILESCC(=O)c1ccccc1C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C16H24N2O2/c1-11(2)15(17)9-10-18(4)16(20)14-8-6-5-7-13(14)12(3)19/h5-8,11,15H,9-10,17H2,1-4H3
InChIKeyREXTVNWKZIJZQO-UHFFFAOYSA-N
XLogP2.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
CID 119659415
N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride
CID 119658549
N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride
CID 119659612
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 119657829
N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058
N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 119659075
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 119660814
N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
CID 115317454

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide?
The IUPAC name of 2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide (CID 119657379) is 2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide.
What is the SMILES notation for 2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide?
The canonical SMILES for 2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide is CC(=O)c1ccccc1C(=O)N(C)CCC(N)C(C)C.
What is the InChIKey of 2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide?
The InChIKey is REXTVNWKZIJZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)15(17)9-10-18(4)16(20)14-8-6-5-7-13(14)12(3)19/h5-8,11,15H,9-10,17H2,1-4H3.
What are the key properties of 2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide?
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide is sourced from PubChem (CID 119657379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).