N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide

C22H27ClN2O3 — CID 55913856

IUPACN-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide
SMILESCC(Nc1cccc(COCC2CCCCO2)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H27ClN2O3/c1-16(22(26)25-20-9-5-7-18(23)13-20)24-19-8-4-6-17(12-19)14-27-15-21-10-2-3-11-28-21/h4-9,12-13,16,21,24H,2-3,10-11,14-15H2,1H3,(H,25,26)
InChIKeyATUZGWWCOIDHOY-UHFFFAOYSA-N
MW402.92 g/mol
LogP4.86
Rot. Bonds8

About N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide

N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide (PubChem CID 55913856) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide
PubChem CID55913856
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC NameN-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide
SMILESCC(Nc1cccc(COCC2CCCCO2)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H27ClN2O3/c1-16(22(26)25-20-9-5-7-18(23)13-20)24-19-8-4-6-17(12-19)14-27-15-21-10-2-3-11-28-21/h4-9,12-13,16,21,24H,2-3,10-11,14-15H2,1H3,(H,25,26)
InChIKeyATUZGWWCOIDHOY-UHFFFAOYSA-N
XLogP4.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-1,2-oxazole-3-carboxamide
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N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
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CID 47066120
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide (CID 55913856) is N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide is CC(Nc1cccc(COCC2CCCCO2)c1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide?
The InChIKey is ATUZGWWCOIDHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-16(22(26)25-20-9-5-7-18(23)13-20)24-19-8-4-6-17(12-19)14-27-15-21-10-2-3-11-28-21/h4-9,12-13,16,21,24H,2-3,10-11,14-15H2,1H3,(H,25,26).
What are the key properties of N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide?
N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide has a molecular weight of 402.92 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide is sourced from PubChem (CID 55913856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).