3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide

C15H21ClN2O3 — CID 78855440

IUPAC3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)CC(NC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-3-18(8-9-19)15(21)10-14(17-11(2)20)12-4-6-13(16)7-5-12/h4-7,14,19H,3,8-10H2,1-2H3,(H,17,20)
InChIKeyYHCZBEINDIPTQX-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.75
Rot. Bonds7

About 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide

3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide (PubChem CID 78855440) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
PubChem CID78855440
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)CC(NC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-3-18(8-9-19)15(21)10-14(17-11(2)20)12-4-6-13(16)7-5-12/h4-7,14,19H,3,8-10H2,1-2H3,(H,17,20)
InChIKeyYHCZBEINDIPTQX-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 51314639
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 56530878
N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide
CID 143788152
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
(3S)-3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135891568
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
[2-(dimethylamino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818754
3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110894919
3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 134045689
3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 51312505

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide (CID 78855440) is 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide is CCN(CCO)C(=O)CC(NC(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is YHCZBEINDIPTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-3-18(8-9-19)15(21)10-14(17-11(2)20)12-4-6-13(16)7-5-12/h4-7,14,19H,3,8-10H2,1-2H3,(H,17,20).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide?
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 312.80 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 78855440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).