4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide

C21H26ClNO4 — CID 110629772

IUPAC4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)CCCc2ccccc2Cl)cc1OC
InChIInChI=1S/C21H26ClNO4/c1-23(21(25)10-6-8-15-7-4-5-9-17(15)22)14-18(24)16-11-12-19(26-2)20(13-16)27-3/h4-5,7,9,11-13,18,24H,6,8,10,14H2,1-3H3
InChIKeyBRSWVYZXKVNGOC-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.87
Rot. Bonds9

About 4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide

4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide (PubChem CID 110629772) has the molecular formula C21H26ClNO4 and a molecular weight of 391.90 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide
PubChem CID110629772
Molecular FormulaC21H26ClNO4
Molecular Weight391.90 g/mol
Exact Mass391.16
IUPAC Name4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)CCCc2ccccc2Cl)cc1OC
InChIInChI=1S/C21H26ClNO4/c1-23(21(25)10-6-8-15-7-4-5-9-17(15)22)14-18(24)16-11-12-19(26-2)20(13-16)27-3/h4-5,7,9,11-13,18,24H,6,8,10,14H2,1-3H3
InChIKeyBRSWVYZXKVNGOC-UHFFFAOYSA-N
XLogP3.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide
CID 110308885
3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 110629514
3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide
CID 110291255
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethyl-3-phenylpropanamide
CID 110629739
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110629749
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069
(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide
CID 110308876
3-butan-2-yl-1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylurea
CID 110629742
1-(2-chlorophenyl)-3-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 99903212
2-(2-chlorophenyl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 60725965

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide (CID 110629772) is 4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide is COc1ccc(C(O)CN(C)C(=O)CCCc2ccccc2Cl)cc1OC.
What is the InChIKey of 4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide?
The InChIKey is BRSWVYZXKVNGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO4/c1-23(21(25)10-6-8-15-7-4-5-9-17(15)22)14-18(24)16-11-12-19(26-2)20(13-16)27-3/h4-5,7,9,11-13,18,24H,6,8,10,14H2,1-3H3.
What are the key properties of 4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide?
4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide has a molecular weight of 391.90 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide is sourced from PubChem (CID 110629772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).