3-acetamido-2-(nonanoylamino)benzamide

C18H27N3O3 — CID 175824940

IUPAC3-acetamido-2-(nonanoylamino)benzamide
SMILESCCCCCCCCC(=O)Nc1c(NC(C)=O)cccc1C(N)=O
InChIInChI=1S/C18H27N3O3/c1-3-4-5-6-7-8-12-16(23)21-17-14(18(19)24)10-9-11-15(17)20-13(2)22/h9-11H,3-8,12H2,1-2H3,(H2,19,24)(H,20,22)(H,21,23)
InChIKeyTWNPWVGEHDZCOB-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.43
Rot. Bonds10

About 3-acetamido-2-(nonanoylamino)benzamide

3-acetamido-2-(nonanoylamino)benzamide (PubChem CID 175824940) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-acetamido-2-(nonanoylamino)benzamide.

Molecular Properties

Compound Name3-acetamido-2-(nonanoylamino)benzamide
PubChem CID175824940
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-acetamido-2-(nonanoylamino)benzamide
SMILESCCCCCCCCC(=O)Nc1c(NC(C)=O)cccc1C(N)=O
InChIInChI=1S/C18H27N3O3/c1-3-4-5-6-7-8-12-16(23)21-17-14(18(19)24)10-9-11-15(17)20-13(2)22/h9-11H,3-8,12H2,1-2H3,(H2,19,24)(H,20,22)(H,21,23)
InChIKeyTWNPWVGEHDZCOB-UHFFFAOYSA-N
XLogP3.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.43
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

2,3-bis(tetradecanoylamino)benzoic acid
CID 154111832
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
2-(hexacosanoylamino)benzoic acid
CID 123304158
2-hydroxy-3-(nonanoylamino)benzoic acid
CID 104832987
2-(hexadecanoylamino)-3-methylbenzoic acid
CID 12800042
N-(2,6-dichlorophenyl)decanamide
CID 3269237
3-bromo-2-(nonanoylamino)benzoic acid
CID 63405626
N-naphthalen-1-yldodecanamide
CID 588517
N-(2-aminophenyl)octadecanamide
CID 68839220
3-(heptanoylamino)benzamide
CID 54789184
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
2-(7-chloroheptanoylamino)benzamide
CID 139930503

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-2-(nonanoylamino)benzamide?
The IUPAC name of 3-acetamido-2-(nonanoylamino)benzamide (CID 175824940) is 3-acetamido-2-(nonanoylamino)benzamide.
What is the SMILES notation for 3-acetamido-2-(nonanoylamino)benzamide?
The canonical SMILES for 3-acetamido-2-(nonanoylamino)benzamide is CCCCCCCCC(=O)Nc1c(NC(C)=O)cccc1C(N)=O.
What is the InChIKey of 3-acetamido-2-(nonanoylamino)benzamide?
The InChIKey is TWNPWVGEHDZCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-4-5-6-7-8-12-16(23)21-17-14(18(19)24)10-9-11-15(17)20-13(2)22/h9-11H,3-8,12H2,1-2H3,(H2,19,24)(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-2-(nonanoylamino)benzamide?
3-acetamido-2-(nonanoylamino)benzamide has a molecular weight of 333.43 g/mol, XLogP of 3.43, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-2-(nonanoylamino)benzamide is sourced from PubChem (CID 175824940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).