2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide

C18H26N2O3 — CID 113173369

IUPAC2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
SMILESCOc1cccc(N(CC(=O)NC2CCCCCC2)C(C)=O)c1
InChIInChI=1S/C18H26N2O3/c1-14(21)20(16-10-7-11-17(12-16)23-2)13-18(22)19-15-8-5-3-4-6-9-15/h7,10-12,15H,3-6,8-9,13H2,1-2H3,(H,19,22)
InChIKeyZPWLVYNZWQJRAV-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.89
Rot. Bonds5

About 2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide

2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide (PubChem CID 113173369) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
PubChem CID113173369
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
SMILESCOc1cccc(N(CC(=O)NC2CCCCCC2)C(C)=O)c1
InChIInChI=1S/C18H26N2O3/c1-14(21)20(16-10-7-11-17(12-16)23-2)13-18(22)19-15-8-5-3-4-6-9-15/h7,10-12,15H,3-6,8-9,13H2,1-2H3,(H,19,22)
InChIKeyZPWLVYNZWQJRAV-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.89
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
N-cyclohexyl-2-(N,3-diacetylanilino)acetamide
CID 113175380
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
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624583
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide
CID 113060593
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 113121338
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 655165
2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
CID 113172228
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide?
The IUPAC name of 2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide (CID 113173369) is 2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide?
The canonical SMILES for 2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide is COc1cccc(N(CC(=O)NC2CCCCCC2)C(C)=O)c1.
What is the InChIKey of 2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide?
The InChIKey is ZPWLVYNZWQJRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14(21)20(16-10-7-11-17(12-16)23-2)13-18(22)19-15-8-5-3-4-6-9-15/h7,10-12,15H,3-6,8-9,13H2,1-2H3,(H,19,22).
What are the key properties of 2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide?
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide has a molecular weight of 318.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide is sourced from PubChem (CID 113173369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).