3-(3-acetamidoanilino)-N-cyclohexylpropanamide

C17H25N3O2 — CID 109014056

IUPAC3-(3-acetamidoanilino)-N-cyclohexylpropanamide
SMILESCC(=O)Nc1cccc(NCCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-13(21)19-16-9-5-8-15(12-16)18-11-10-17(22)20-14-6-3-2-4-7-14/h5,8-9,12,14,18H,2-4,6-7,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyRWQTYNPWUUCNLK-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.90
Rot. Bonds6

About 3-(3-acetamidoanilino)-N-cyclohexylpropanamide

3-(3-acetamidoanilino)-N-cyclohexylpropanamide (PubChem CID 109014056) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(3-acetamidoanilino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(3-acetamidoanilino)-N-cyclohexylpropanamide
PubChem CID109014056
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-(3-acetamidoanilino)-N-cyclohexylpropanamide
SMILESCC(=O)Nc1cccc(NCCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-13(21)19-16-9-5-8-15(12-16)18-11-10-17(22)20-14-6-3-2-4-7-14/h5,8-9,12,14,18H,2-4,6-7,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyRWQTYNPWUUCNLK-UHFFFAOYSA-N
XLogP2.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetylanilino)-N-cyclohexylpropanamide
CID 109014054
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109013531
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
3-(4-acetylanilino)-N-cyclohexylpropanamide
CID 109014055
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 86830681
N-cyclohexyl-3-(2,6-diethylanilino)propanamide
CID 109014023
N-cyclohexyl-3-(3,5-dichloroanilino)propanamide
CID 109014092

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidoanilino)-N-cyclohexylpropanamide?
The IUPAC name of 3-(3-acetamidoanilino)-N-cyclohexylpropanamide (CID 109014056) is 3-(3-acetamidoanilino)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(3-acetamidoanilino)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(3-acetamidoanilino)-N-cyclohexylpropanamide is CC(=O)Nc1cccc(NCCC(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-(3-acetamidoanilino)-N-cyclohexylpropanamide?
The InChIKey is RWQTYNPWUUCNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(21)19-16-9-5-8-15(12-16)18-11-10-17(22)20-14-6-3-2-4-7-14/h5,8-9,12,14,18H,2-4,6-7,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-(3-acetamidoanilino)-N-cyclohexylpropanamide?
3-(3-acetamidoanilino)-N-cyclohexylpropanamide has a molecular weight of 303.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidoanilino)-N-cyclohexylpropanamide is sourced from PubChem (CID 109014056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).