2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide

C15H22N2O3 — CID 115703920

IUPAC2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide
SMILESCCC(O)CCNC(=O)c1ccccc1N(C)C(C)=O
InChIInChI=1S/C15H22N2O3/c1-4-12(19)9-10-16-15(20)13-7-5-6-8-14(13)17(3)11(2)18/h5-8,12,19H,4,9-10H2,1-3H3,(H,16,20)
InChIKeyQGUISAMZWNSXMX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.56
Rot. Bonds6

About 2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide

2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide (PubChem CID 115703920) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide
PubChem CID115703920
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide
SMILESCCC(O)CCNC(=O)c1ccccc1N(C)C(C)=O
InChIInChI=1S/C15H22N2O3/c1-4-12(19)9-10-16-15(20)13-7-5-6-8-14(13)17(3)11(2)18/h5-8,12,19H,4,9-10H2,1-3H3,(H,16,20)
InChIKeyQGUISAMZWNSXMX-UHFFFAOYSA-N
XLogP1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(methyl)amino]-N-(2-hydroxypentyl)benzamide
CID 115700978
2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103755895
methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate
CID 103958098
2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid
CID 43469297
3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide
CID 113342931
2,6-difluoro-N-(3-hydroxypentyl)benzamide
CID 115703804
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490
1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449575
(2S,3R)-2-[[2-[acetyl(methyl)amino]benzoyl]amino]-3-hydroxybutanoic acid
CID 104964612
2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340040
N-(3-hydroxypentyl)-1H-pyrrole-2-carboxamide
CID 115703464
N-(3-hydroxypentyl)naphthalene-2-carboxamide
CID 115703584

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide (CID 115703920) is 2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide is CCC(O)CCNC(=O)c1ccccc1N(C)C(C)=O.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide?
The InChIKey is QGUISAMZWNSXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-12(19)9-10-16-15(20)13-7-5-6-8-14(13)17(3)11(2)18/h5-8,12,19H,4,9-10H2,1-3H3,(H,16,20).
What are the key properties of 2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide?
2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide is sourced from PubChem (CID 115703920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).