3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide

C19H28N2O3 — CID 113116636

IUPAC3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)C1CCCCC1
InChIInChI=1S/C19H28N2O3/c1-3-24-18-12-8-7-11-17(18)20-19(23)13-14-21(15(2)22)16-9-5-4-6-10-16/h7-8,11-12,16H,3-6,9-10,13-14H2,1-2H3,(H,20,23)
InChIKeyNAWGCRXNIIDKAR-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.60
Rot. Bonds7

About 3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide

3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide (PubChem CID 113116636) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
PubChem CID113116636
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)C1CCCCC1
InChIInChI=1S/C19H28N2O3/c1-3-24-18-12-8-7-11-17(18)20-19(23)13-14-21(15(2)22)16-9-5-4-6-10-16/h7-8,11-12,16H,3-6,9-10,13-14H2,1-2H3,(H,20,23)
InChIKeyNAWGCRXNIIDKAR-UHFFFAOYSA-N
XLogP3.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115445
2-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113158429
3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045
3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122550
3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113115448
3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122793
3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113117001
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122932
3-[acetyl(2-methylpropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116041
3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115644

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide (CID 113116636) is 3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCN(C(C)=O)C1CCCCC1.
What is the InChIKey of 3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is NAWGCRXNIIDKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-24-18-12-8-7-11-17(18)20-19(23)13-14-21(15(2)22)16-9-5-4-6-10-16/h7-8,11-12,16H,3-6,9-10,13-14H2,1-2H3,(H,20,23).
What are the key properties of 3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide?
3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 332.44 g/mol, XLogP of 3.60, 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-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 113116636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).