N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide

C17H26N2O3 — CID 113056954

IUPACN-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide
SMILESCCCCCN(CCNC(=O)c1cccc(OC)c1)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-4-5-6-11-19(14(2)20)12-10-18-17(21)15-8-7-9-16(13-15)22-3/h7-9,13H,4-6,10-12H2,1-3H3,(H,18,21)
InChIKeyKTKMUCRSCYJJRZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.46
Rot. Bonds9

About N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide

N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide (PubChem CID 113056954) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide
PubChem CID113056954
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide
SMILESCCCCCN(CCNC(=O)c1cccc(OC)c1)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-4-5-6-11-19(14(2)20)12-10-18-17(21)15-8-7-9-16(13-15)22-3/h7-9,13H,4-6,10-12H2,1-3H3,(H,18,21)
InChIKeyKTKMUCRSCYJJRZ-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-tridecylbenzamide
CID 139819898
N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113051850
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide
CID 113055892
N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide
CID 113056981
nonyl 3-[(3-methoxybenzoyl)amino]propanoate
CID 91715386
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
[3-(pentylcarbamoyl)phenyl] acetate
CID 89122347
3-methoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 18582832
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
CID 113059178
N-[2-(N-acetyl-2-bromoanilino)ethyl]-3-methoxybenzamide
CID 113062736

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide (CID 113056954) is N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide is CCCCCN(CCNC(=O)c1cccc(OC)c1)C(C)=O.
What is the InChIKey of N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide?
The InChIKey is KTKMUCRSCYJJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-5-6-11-19(14(2)20)12-10-18-17(21)15-8-7-9-16(13-15)22-3/h7-9,13H,4-6,10-12H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide?
N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide has a molecular weight of 306.41 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 113056954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).