3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide

C22H26ClNO4 — CID 55968778

IUPAC3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)CCOc1cccc(Cl)c1
InChIInChI=1S/C22H26ClNO4/c1-26-21-10-3-2-6-17(21)15-24(16-20-9-5-12-27-20)22(25)11-13-28-19-8-4-7-18(23)14-19/h2-4,6-8,10,14,20H,5,9,11-13,15-16H2,1H3
InChIKeyGFMPRDBQNVWRGP-UHFFFAOYSA-N
MW403.91 g/mol
LogP4.33
Rot. Bonds9

About 3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide

3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 55968778) has the molecular formula C22H26ClNO4 and a molecular weight of 403.91 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID55968778
Molecular FormulaC22H26ClNO4
Molecular Weight403.91 g/mol
Exact Mass403.16
IUPAC Name3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)CCOc1cccc(Cl)c1
InChIInChI=1S/C22H26ClNO4/c1-26-21-10-3-2-6-17(21)15-24(16-20-9-5-12-27-20)22(25)11-13-28-19-8-4-7-18(23)14-19/h2-4,6-8,10,14,20H,5,9,11-13,15-16H2,1H3
InChIKeyGFMPRDBQNVWRGP-UHFFFAOYSA-N
XLogP4.33
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967862
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968507
2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729719
N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 55968895
4-chloro-N-[4-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-4-oxobutyl]benzamide
CID 95351794
4-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968249
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
3-iodo-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967993
2-(3-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 60589374
N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 43044155
N-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55967624
N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55968770

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide (CID 55968778) is 3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide is COc1ccccc1CN(CC1CCCO1)C(=O)CCOc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is GFMPRDBQNVWRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO4/c1-26-21-10-3-2-6-17(21)15-24(16-20-9-5-12-27-20)22(25)11-13-28-19-8-4-7-18(23)14-19/h2-4,6-8,10,14,20H,5,9,11-13,15-16H2,1H3.
What are the key properties of 3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 403.91 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 55968778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).