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

C20H30N2O3 — CID 113116640

IUPAC3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)C1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-15(2)25-19-11-9-17(10-12-19)21-20(24)13-14-22(16(3)23)18-7-5-4-6-8-18/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,21,24)
InChIKeyLMJPNJWJMVOPSX-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.98
Rot. Bonds7

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

3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 113116640) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID113116640
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)C1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-15(2)25-19-11-9-17(10-12-19)21-20(24)13-14-22(16(3)23)18-7-5-4-6-8-18/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,21,24)
InChIKeyLMJPNJWJMVOPSX-UHFFFAOYSA-N
XLogP3.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113116612
3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113122554
N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
CID 113115459
3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695
N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942623
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
CID 113116671
N-cyclopentyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942248
3-[acetyl(cycloheptyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113122776
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide (CID 113116640) is 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)C1CCCCC1.
What is the InChIKey of 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is LMJPNJWJMVOPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(2)25-19-11-9-17(10-12-19)21-20(24)13-14-22(16(3)23)18-7-5-4-6-8-18/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,21,24).
What are the key properties of 3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 346.47 g/mol, XLogP of 3.98, 7 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-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113116640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).