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

C18H20ClNO3 — CID 34409690

IUPACN-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO3/c1-22-17-4-2-3-14(13-17)5-10-18(21)20-11-12-23-16-8-6-15(19)7-9-16/h2-4,6-9,13H,5,10-12H2,1H3,(H,20,21)
InChIKeyPHQFGCRIAMQRJM-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.48
Rot. Bonds8

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

N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide (PubChem CID 34409690) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide
PubChem CID34409690
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO3/c1-22-17-4-2-3-14(13-17)5-10-18(21)20-11-12-23-16-8-6-15(19)7-9-16/h2-4,6-9,13H,5,10-12H2,1H3,(H,20,21)
InChIKeyPHQFGCRIAMQRJM-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

3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934905
4-[2-[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22685572
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
methyl 3-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethoxy]benzoate
CID 8806513
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide (CID 34409690) is N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)NCCOc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide?
The InChIKey is PHQFGCRIAMQRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-22-17-4-2-3-14(13-17)5-10-18(21)20-11-12-23-16-8-6-15(19)7-9-16/h2-4,6-9,13H,5,10-12H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide?
N-[2-(4-chlorophenoxy)ethyl]-3-(3-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-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 34409690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).