3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide

C20H30N2O2 — CID 113116612

IUPAC3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)C1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-15(2)17-9-11-18(12-10-17)21-20(24)13-14-22(16(3)23)19-7-5-4-6-8-19/h9-12,15,19H,4-8,13-14H2,1-3H3,(H,21,24)
InChIKeyGOXPUCNWVJLAKM-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.32
Rot. Bonds6

About 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide

3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 113116612) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID113116612
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)C1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-15(2)17-9-11-18(12-10-17)21-20(24)13-14-22(16(3)23)19-7-5-4-6-8-19/h9-12,15,19H,4-8,13-14H2,1-3H3,(H,21,24)
InChIKeyGOXPUCNWVJLAKM-UHFFFAOYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113116640
N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
CID 113115459
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695
2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113158405
methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
CID 42697074
3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116428
3-[acetyl(cycloheptyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113122776
3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
CID 113116671
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753
3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide
CID 113115426
1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea
CID 4171224

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide (CID 113116612) is 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)C1CCCCC1.
What is the InChIKey of 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is GOXPUCNWVJLAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(2)17-9-11-18(12-10-17)21-20(24)13-14-22(16(3)23)19-7-5-4-6-8-19/h9-12,15,19H,4-8,13-14H2,1-3H3,(H,21,24).
What are the key properties of 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 330.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113116612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).