N-cyclohexyl-2-(N,3-diacetylanilino)acetamide

C18H24N2O3 — CID 113175380

IUPACN-cyclohexyl-2-(N,3-diacetylanilino)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)NC2CCCCC2)C(C)=O)c1
InChIInChI=1S/C18H24N2O3/c1-13(21)15-7-6-10-17(11-15)20(14(2)22)12-18(23)19-16-8-4-3-5-9-16/h6-7,10-11,16H,3-5,8-9,12H2,1-2H3,(H,19,23)
InChIKeyQDUJDHOLDVMEKN-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.69
Rot. Bonds5

About N-cyclohexyl-2-(N,3-diacetylanilino)acetamide

N-cyclohexyl-2-(N,3-diacetylanilino)acetamide (PubChem CID 113175380) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cyclohexyl-2-(N,3-diacetylanilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(N,3-diacetylanilino)acetamide
PubChem CID113175380
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-cyclohexyl-2-(N,3-diacetylanilino)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)NC2CCCCC2)C(C)=O)c1
InChIInChI=1S/C18H24N2O3/c1-13(21)15-7-6-10-17(11-15)20(14(2)22)12-18(23)19-16-8-4-3-5-9-16/h6-7,10-11,16H,3-5,8-9,12H2,1-2H3,(H,19,23)
InChIKeyQDUJDHOLDVMEKN-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[acetyl-[2-(cycloheptylamino)-2-oxoethyl]amino]benzoate
CID 113176252
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
CID 113173369
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
CID 113168245
2-(N-acetyl-3-methylanilino)-N-cyclopropylacetamide
CID 113167455
2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
CID 113172228
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633
2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide
CID 113169281
2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide
CID 113181443
N'-(3-acetylphenyl)-N-cyclopentylpropanediamide
CID 108942255
2-(N,3-diacetylanilino)-N-phenylacetamide
CID 113175453
2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
CID 113168893

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(N,3-diacetylanilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(N,3-diacetylanilino)acetamide (CID 113175380) is N-cyclohexyl-2-(N,3-diacetylanilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(N,3-diacetylanilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(N,3-diacetylanilino)acetamide is CC(=O)c1cccc(N(CC(=O)NC2CCCCC2)C(C)=O)c1.
What is the InChIKey of N-cyclohexyl-2-(N,3-diacetylanilino)acetamide?
The InChIKey is QDUJDHOLDVMEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(21)15-7-6-10-17(11-15)20(14(2)22)12-18(23)19-16-8-4-3-5-9-16/h6-7,10-11,16H,3-5,8-9,12H2,1-2H3,(H,19,23).
What are the key properties of N-cyclohexyl-2-(N,3-diacetylanilino)acetamide?
N-cyclohexyl-2-(N,3-diacetylanilino)acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(N,3-diacetylanilino)acetamide is sourced from PubChem (CID 113175380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).