N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide

C19H22ClNO3 — CID 112792298

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)N(C)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3/c1-3-11-23-17-7-9-18(10-8-17)24-14-19(22)21(2)13-15-5-4-6-16(20)12-15/h4-10,12H,3,11,13-14H2,1-2H3
InChIKeyHIYQKPJKOUFVAP-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.17
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide

N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide (PubChem CID 112792298) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide
PubChem CID112792298
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)N(C)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3/c1-3-11-23-17-7-9-18(10-8-17)24-14-19(22)21(2)13-15-5-4-6-16(20)12-15/h4-10,12H,3,11,13-14H2,1-2H3
InChIKeyHIYQKPJKOUFVAP-UHFFFAOYSA-N
XLogP4.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 112792407
N-[(3-chlorophenyl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide
CID 112792294
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78770504
N-(furan-2-ylmethyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112775334
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-propan-2-ylphenoxy)acetamide
CID 112778017
N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60687586
N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 86907760
N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18267904
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide (CID 112792298) is N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide is CCCOc1ccc(OCC(=O)N(C)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide?
The InChIKey is HIYQKPJKOUFVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-3-11-23-17-7-9-18(10-8-17)24-14-19(22)21(2)13-15-5-4-6-16(20)12-15/h4-10,12H,3,11,13-14H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide?
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide has a molecular weight of 347.84 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide is sourced from PubChem (CID 112792298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).