N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide

C16H24N2O3 — CID 107202831

IUPACN-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)N(C)CCCCCO)c1
InChIInChI=1S/C16H24N2O3/c1-13-7-6-8-14(11-13)16(21)17-12-15(20)18(2)9-4-3-5-10-19/h6-8,11,19H,3-5,9-10,12H2,1-2H3,(H,17,21)
InChIKeyWMCRPTPLUMFLLU-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.35
Rot. Bonds8

About N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 107202831) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID107202831
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)N(C)CCCCCO)c1
InChIInChI=1S/C16H24N2O3/c1-13-7-6-8-14(11-13)16(21)17-12-15(20)18(2)9-4-3-5-10-19/h6-8,11,19H,3-5,9-10,12H2,1-2H3,(H,17,21)
InChIKeyWMCRPTPLUMFLLU-UHFFFAOYSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
CID 107202420
4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43359941
N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 62334553
N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide
CID 43572908
N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 78800713
2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
CID 107201944
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112995384
N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid
CID 143334744
(E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 107202427
2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate
CID 70795612
3-methyl-N-phenacylbenzamide
CID 3417494
3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9416961

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide (CID 107202831) is N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)N(C)CCCCCO)c1.
What is the InChIKey of N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is WMCRPTPLUMFLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13-7-6-8-14(11-13)16(21)17-12-15(20)18(2)9-4-3-5-10-19/h6-8,11,19H,3-5,9-10,12H2,1-2H3,(H,17,21).
What are the key properties of N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 107202831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).