1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea

C30H35N3O7 — CID 73055003

IUPAC1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
SMILESCOc1cc(-c2cc(NC(=O)Nc3ccc(OCCN4CCOCC4)cc3)cc(OC)c2OC)ccc1C(C)=O
InChIInChI=1S/C30H35N3O7/c1-20(34)25-10-5-21(17-27(25)36-2)26-18-23(19-28(37-3)29(26)38-4)32-30(35)31-22-6-8-24(9-7-22)40-16-13-33-11-14-39-15-12-33/h5-10,17-19H,11-16H2,1-4H3,(H2,31,32,35)
InChIKeyQTYYAYDYAFXUFL-UHFFFAOYSA-N
MW549.62 g/mol
LogP4.94
Rot. Bonds11

About 1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea

1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea (PubChem CID 73055003) has the molecular formula C30H35N3O7 and a molecular weight of 549.62 g/mol. Its IUPAC name is 1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
PubChem CID73055003
Molecular FormulaC30H35N3O7
Molecular Weight549.62 g/mol
Exact Mass549.25
IUPAC Name1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
SMILESCOc1cc(-c2cc(NC(=O)Nc3ccc(OCCN4CCOCC4)cc3)cc(OC)c2OC)ccc1C(C)=O
InChIInChI=1S/C30H35N3O7/c1-20(34)25-10-5-21(17-27(25)36-2)26-18-23(19-28(37-3)29(26)38-4)32-30(35)31-22-6-8-24(9-7-22)40-16-13-33-11-14-39-15-12-33/h5-10,17-19H,11-16H2,1-4H3,(H2,31,32,35)
InChIKeyQTYYAYDYAFXUFL-UHFFFAOYSA-N
XLogP4.94
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.62
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea with MolForge

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Related Compounds

1-[3-(4-Acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea
CID 73055004
4-benzyl-N-(4-(2-(diisopropylamino)ethoxy)-3-methoxyphenyl)benzamide
CID 16116777
Biphenyl-4-carboxylic acid [3-methoxy-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amide
CID 17989409
Biphenyl-4-carboxylic acid [4-(2-diisopropylamino-ethoxy)-3-methoxy-phenyl]-amide
CID 18672590
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide
CID 10098799
N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4-phenylbenzamide
CID 16110074
4-cyclohexyl-N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]benzamide
CID 44416388
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-3-methyl-4-phenylbenzamide
CID 44416389
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-4-(2-methylphenyl)benzamide
CID 44416498
N-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-4-phenylbenzamide
CID 44416502
N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-4-phenylbenzamide
CID 44416539
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-2-methyl-4-phenylbenzamide
CID 44416559

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea?
The IUPAC name of 1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea (CID 73055003) is 1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea.
What is the SMILES notation for 1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea?
The canonical SMILES for 1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea is COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN4CCOCC4)cc3)cc(OC)c2OC)ccc1C(C)=O.
What is the InChIKey of 1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea?
The InChIKey is QTYYAYDYAFXUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O7/c1-20(34)25-10-5-21(17-27(25)36-2)26-18-23(19-28(37-3)29(26)38-4)32-30(35)31-22-6-8-24(9-7-22)40-16-13-33-11-14-39-15-12-33/h5-10,17-19H,11-16H2,1-4H3,(H2,31,32,35).
What are the key properties of 1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea?
1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea has a molecular weight of 549.62 g/mol, XLogP of 4.94, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea is sourced from PubChem (CID 73055003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).