4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide

C35H37NO6 — CID 58523266

IUPAC4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide
SMILESCOc1ccc(CCCC(=O)NC(COCc2ccccc2)C(=O)Cc2ccc(Oc3ccccc3)cc2)cc1OC
InChIInChI=1S/C35H37NO6/c1-39-33-21-18-26(23-34(33)40-2)12-9-15-35(38)36-31(25-41-24-28-10-5-3-6-11-28)32(37)22-27-16-19-30(20-17-27)42-29-13-7-4-8-14-29/h3-8,10-11,13-14,16-21,23,31H,9,12,15,22,24-25H2,1-2H3,(H,36,38)
InChIKeyPRNOYURRAWORNW-UHFFFAOYSA-N
MW567.68 g/mol
LogP6.33
Rot. Bonds16

About 4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide

4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide (PubChem CID 58523266) has the molecular formula C35H37NO6 and a molecular weight of 567.68 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide
PubChem CID58523266
Molecular FormulaC35H37NO6
Molecular Weight567.68 g/mol
Exact Mass567.26
IUPAC Name4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide
SMILESCOc1ccc(CCCC(=O)NC(COCc2ccccc2)C(=O)Cc2ccc(Oc3ccccc3)cc2)cc1OC
InChIInChI=1S/C35H37NO6/c1-39-33-21-18-26(23-34(33)40-2)12-9-15-35(38)36-31(25-41-24-28-10-5-3-6-11-28)32(37)22-27-16-19-30(20-17-27)42-29-13-7-4-8-14-29/h3-8,10-11,13-14,16-21,23,31H,9,12,15,22,24-25H2,1-2H3,(H,36,38)
InChIKeyPRNOYURRAWORNW-UHFFFAOYSA-N
XLogP6.33
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.68
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide with MolForge

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Related Compounds

N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]hexanamide
CID 58523151
N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
CID 58523230
7-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-1-benzofuran-2-carboxamide
CID 58522947
2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide
CID 58523051
2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide
CID 58523214
2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
CID 58523180
2-(1,3-benzodioxol-5-yl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
CID 58523067
N-[(2S)-4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-3-(1H-imidazol-5-yl)propanamide
CID 58523106
N-[(2S)-4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-pyrazin-2-ylacetamide
CID 58523198
[2-methyl-6-[[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]carbamoyl]phenyl]-oxoazanium
CID 58523072
N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 58523220
2-chloro-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]pyridine-3-carboxamide
CID 58523019

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide (CID 58523266) is 4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide is COc1ccc(CCCC(=O)NC(COCc2ccccc2)C(=O)Cc2ccc(Oc3ccccc3)cc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide?
The InChIKey is PRNOYURRAWORNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37NO6/c1-39-33-21-18-26(23-34(33)40-2)12-9-15-35(38)36-31(25-41-24-28-10-5-3-6-11-28)32(37)22-27-16-19-30(20-17-27)42-29-13-7-4-8-14-29/h3-8,10-11,13-14,16-21,23,31H,9,12,15,22,24-25H2,1-2H3,(H,36,38).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide?
4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide has a molecular weight of 567.68 g/mol, XLogP of 6.33, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide is sourced from PubChem (CID 58523266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).