N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide

C22H29NO4 — CID 110313652

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)C(c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C22H29NO4/c1-15(2)21(17-8-12-19(27-5)13-9-17)22(25)23(3)14-20(24)16-6-10-18(26-4)11-7-16/h6-13,15,20-21,24H,14H2,1-5H3
InChIKeyIVPOUPCMMBJOKO-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.64
Rot. Bonds8

About N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide (PubChem CID 110313652) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide
PubChem CID110313652
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)C(c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C22H29NO4/c1-15(2)21(17-8-12-19(27-5)13-9-17)22(25)23(3)14-20(24)16-6-10-18(26-4)11-7-16/h6-13,15,20-21,24H,14H2,1-5H3
InChIKeyIVPOUPCMMBJOKO-UHFFFAOYSA-N
XLogP3.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
CID 110308848
3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228886
3-(furan-2-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)propanamide
CID 110308805
2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60969080
2-[ethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60972520
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide
CID 110308829
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-phenylbenzamide
CID 110291119
2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110291126
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 103108710
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide (CID 110313652) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide is COc1ccc(C(O)CN(C)C(=O)C(c2ccc(OC)cc2)C(C)C)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide?
The InChIKey is IVPOUPCMMBJOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-15(2)21(17-8-12-19(27-5)13-9-17)22(25)23(3)14-20(24)16-6-10-18(26-4)11-7-16/h6-13,15,20-21,24H,14H2,1-5H3.
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide has a molecular weight of 371.48 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 110313652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).