3,5-diacetamido-N-pentylbenzamide

C16H23N3O3 — CID 18108250

IUPAC3,5-diacetamido-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1
InChIInChI=1S/C16H23N3O3/c1-4-5-6-7-17-16(22)13-8-14(18-11(2)20)10-15(9-13)19-12(3)21/h8-10H,4-7H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeySWFOYSRYKQZRKO-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.52
Rot. Bonds7

About 3,5-diacetamido-N-pentylbenzamide

3,5-diacetamido-N-pentylbenzamide (PubChem CID 18108250) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3,5-diacetamido-N-pentylbenzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-pentylbenzamide
PubChem CID18108250
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3,5-diacetamido-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1
InChIInChI=1S/C16H23N3O3/c1-4-5-6-7-17-16(22)13-8-14(18-11(2)20)10-15(9-13)19-12(3)21/h8-10H,4-7H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeySWFOYSRYKQZRKO-UHFFFAOYSA-N
XLogP2.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-hexadecylbenzamide
CID 54469516
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102049
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
5-acetamido-2-fluoro-N-nonylbenzamide
CID 60568638
N-butyl-3,5-dimethylbenzamide
CID 17190927
N-butyl-3,5-dihydroxybenzamide
CID 91715801
5-(octadecylcarbamoylamino)benzene-1,3-dicarboxylic acid
CID 58559835
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
3-bromo-N-dodecylbenzamide
CID 603918
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-pentylbenzamide?
The IUPAC name of 3,5-diacetamido-N-pentylbenzamide (CID 18108250) is 3,5-diacetamido-N-pentylbenzamide.
What is the SMILES notation for 3,5-diacetamido-N-pentylbenzamide?
The canonical SMILES for 3,5-diacetamido-N-pentylbenzamide is CCCCCNC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1.
What is the InChIKey of 3,5-diacetamido-N-pentylbenzamide?
The InChIKey is SWFOYSRYKQZRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-5-6-7-17-16(22)13-8-14(18-11(2)20)10-15(9-13)19-12(3)21/h8-10H,4-7H2,1-3H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of 3,5-diacetamido-N-pentylbenzamide?
3,5-diacetamido-N-pentylbenzamide has a molecular weight of 305.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-pentylbenzamide is sourced from PubChem (CID 18108250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).