3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide

C20H23ClN2O3 — CID 51256293

IUPAC3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide
SMILESCC(=O)NC(CC(=O)NCCCOc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-15(24)23-19(16-8-10-17(21)11-9-16)14-20(25)22-12-5-13-26-18-6-3-2-4-7-18/h2-4,6-11,19H,5,12-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyINNQOFCSCCZXHD-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.49
Rot. Bonds9

About 3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide

3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide (PubChem CID 51256293) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide
PubChem CID51256293
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide
SMILESCC(=O)NC(CC(=O)NCCCOc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-15(24)23-19(16-8-10-17(21)11-9-16)14-20(25)22-12-5-13-26-18-6-3-2-4-7-18/h2-4,6-11,19H,5,12-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyINNQOFCSCCZXHD-UHFFFAOYSA-N
XLogP3.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 32686708
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
2-phenoxyethyl 3-acetamido-3-(4-methylphenyl)propanoate
CID 86906524
4-[3-(4-chlorophenoxy)propylamino]-4-oxo-2-propan-2-ylbutanoic acid
CID 18416233
3-acetamido-3-(4-chlorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 55618227
ethyl 4-[3-(4-chlorophenoxy)propylamino]-4-oxo-2-propan-2-ylbutanoate
CID 70110338
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide
CID 2604070

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide (CID 51256293) is 3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide is CC(=O)NC(CC(=O)NCCCOc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide?
The InChIKey is INNQOFCSCCZXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-15(24)23-19(16-8-10-17(21)11-9-16)14-20(25)22-12-5-13-26-18-6-3-2-4-7-18/h2-4,6-11,19H,5,12-14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide?
3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide has a molecular weight of 374.87 g/mol, XLogP of 3.49, 9 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-(3-phenoxypropyl)propanamide is sourced from PubChem (CID 51256293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).