N-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide

C18H20ClNO3 — CID 578622

IUPACN-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO3/c1-22-16-7-2-14(3-8-16)4-11-18(21)20-12-13-23-17-9-5-15(19)6-10-17/h2-3,5-10H,4,11-13H2,1H3,(H,20,21)
InChIKeyCQFOQBMWYHOOKB-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.48
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide

N-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 578622) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID578622
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO3/c1-22-16-7-2-14(3-8-16)4-11-18(21)20-12-13-23-17-9-5-15(19)6-10-17/h2-3,5-10H,4,11-13H2,1H3,(H,20,21)
InChIKeyCQFOQBMWYHOOKB-UHFFFAOYSA-N
XLogP3.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-methylpentanamide
CID 23648424
N-(2-Aminoethyl)-2-(3-chloro-4-((4-isopropylbenzyl)oxy)phenyl) acetamide
CID 6102763
2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 602768
N-benzyl-2-(4-chlorophenoxy)acetamide
CID 2791617
2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
(6S,9R,12R)-6-[(2S)-butan-2-yl]-12-[(4-chlorophenyl)methyl]-8,9-dimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 57399248
N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutanamide
CID 885698
4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 1716197
N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 1720819
2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 2216265
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 7688715
1-[(4-Chlorophenoxy)acetyl]-4-(phenylacetyl)piperazine
CID 1072066

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide (CID 578622) is N-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is CQFOQBMWYHOOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-22-16-7-2-14(3-8-16)4-11-18(21)20-12-13-23-17-9-5-15(19)6-10-17/h2-3,5-10H,4,11-13H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 333.82 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 578622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).