3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide

C22H35N3O2 — CID 113116691

IUPAC3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(C(C)=O)C2CCCCC2)c(C)c1
InChIInChI=1S/C22H35N3O2/c1-5-24(6-2)20-12-13-21(17(3)16-20)23-22(27)14-15-25(18(4)26)19-10-8-7-9-11-19/h12-13,16,19H,5-11,14-15H2,1-4H3,(H,23,27)
InChIKeyPRPHNHGPQFTXJE-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.35
Rot. Bonds8

About 3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide

3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide (PubChem CID 113116691) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
PubChem CID113116691
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(C(C)=O)C2CCCCC2)c(C)c1
InChIInChI=1S/C22H35N3O2/c1-5-24(6-2)20-12-13-21(17(3)16-20)23-22(27)14-15-25(18(4)26)19-10-8-7-9-11-19/h12-13,16,19H,5-11,14-15H2,1-4H3,(H,23,27)
InChIKeyPRPHNHGPQFTXJE-UHFFFAOYSA-N
XLogP4.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
CID 837088
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116404
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 84567286
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 108992892
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113125142
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
2-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 113160372
3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113128858

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The IUPAC name of 3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide (CID 113116691) is 3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide.
What is the SMILES notation for 3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The canonical SMILES for 3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide is CCN(CC)c1ccc(NC(=O)CCN(C(C)=O)C2CCCCC2)c(C)c1.
What is the InChIKey of 3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The InChIKey is PRPHNHGPQFTXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-5-24(6-2)20-12-13-21(17(3)16-20)23-22(27)14-15-25(18(4)26)19-10-8-7-9-11-19/h12-13,16,19H,5-11,14-15H2,1-4H3,(H,23,27).
What are the key properties of 3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide?
3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide has a molecular weight of 373.54 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide is sourced from PubChem (CID 113116691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).