3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide

C22H34N2O2 — CID 113126298

IUPAC3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCCC1)c1c(C)cccc1C(C)C
InChIInChI=1S/C22H34N2O2/c1-16(2)20-13-9-10-17(3)22(20)24(18(4)25)15-14-21(26)23-19-11-7-5-6-8-12-19/h9-10,13,16,19H,5-8,11-12,14-15H2,1-4H3,(H,23,26)
InChIKeyCPBUEYHSWMEXLS-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.70
Rot. Bonds6

About 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide

3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide (PubChem CID 113126298) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide
PubChem CID113126298
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCCC1)c1c(C)cccc1C(C)C
InChIInChI=1S/C22H34N2O2/c1-16(2)20-13-9-10-17(3)22(20)24(18(4)25)15-14-21(26)23-19-11-7-5-6-8-12-19/h9-10,13,16,19H,5-8,11-12,14-15H2,1-4H3,(H,23,26)
InChIKeyCPBUEYHSWMEXLS-UHFFFAOYSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143249
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633
N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146226
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113126259
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113126328
3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide
CID 113134156
3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide
CID 113124295
2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
CID 113168893
N-cyclohexyl-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142895
N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]acetamide
CID 108993678

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide?
The IUPAC name of 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide (CID 113126298) is 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide?
The canonical SMILES for 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide is CC(=O)N(CCC(=O)NC1CCCCCC1)c1c(C)cccc1C(C)C.
What is the InChIKey of 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide?
The InChIKey is CPBUEYHSWMEXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-16(2)20-13-9-10-17(3)22(20)24(18(4)25)15-14-21(26)23-19-11-7-5-6-8-12-19/h9-10,13,16,19H,5-8,11-12,14-15H2,1-4H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide?
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide has a molecular weight of 358.53 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide is sourced from PubChem (CID 113126298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).