2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide

C19H29N3O2 — CID 34067869

IUPAC2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide
SMILESCC(=O)Nc1cccc(NCC(=O)NC2CCCCCCC2)c1C
InChIInChI=1S/C19H29N3O2/c1-14-17(11-8-12-18(14)21-15(2)23)20-13-19(24)22-16-9-6-4-3-5-7-10-16/h8,11-12,16,20H,3-7,9-10,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCOQLPXZJOPWZPI-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.59
Rot. Bonds5

About 2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide

2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide (PubChem CID 34067869) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide
PubChem CID34067869
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide
SMILESCC(=O)Nc1cccc(NCC(=O)NC2CCCCCCC2)c1C
InChIInChI=1S/C19H29N3O2/c1-14-17(11-8-12-18(14)21-15(2)23)20-13-19(24)22-16-9-6-4-3-5-7-10-16/h8,11-12,16,20H,3-7,9-10,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCOQLPXZJOPWZPI-UHFFFAOYSA-N
XLogP3.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide
CID 34068559
N-cycloheptyl-2-(2-ethylanilino)acetamide
CID 60631370
N-cyclohexyl-2-(2-iodoanilino)acetamide
CID 28878262
N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide
CID 54816101
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54814827
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 86930985
2-(cyclohexylcarbamoylamino)-N-(2,3-dimethylphenyl)acetamide
CID 51179268
N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide
CID 86910543
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide
CID 71882424
2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide
CID 61168560

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide?
The IUPAC name of 2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide (CID 34067869) is 2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide.
What is the SMILES notation for 2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide?
The canonical SMILES for 2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide is CC(=O)Nc1cccc(NCC(=O)NC2CCCCCCC2)c1C.
What is the InChIKey of 2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide?
The InChIKey is COQLPXZJOPWZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-17(11-8-12-18(14)21-15(2)23)20-13-19(24)22-16-9-6-4-3-5-7-10-16/h8,11-12,16,20H,3-7,9-10,13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide?
2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide has a molecular weight of 331.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide is sourced from PubChem (CID 34067869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).