ethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate

C27H27N3O7 — CID 70103949

IUPACethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate
SMILESCCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C27H27N3O7/c1-5-37-26(33)21-14-23(35-3)24(36-4)15-22(21)30-25(32)18-8-12-20(13-9-18)29-27(34)28-19-10-6-17(7-11-19)16(2)31/h6-15H,5H2,1-4H3,(H,30,32)(H2,28,29,34)
InChIKeyGYOJMJUICZBLOL-UHFFFAOYSA-N
MW505.53 g/mol
LogP4.98
Rot. Bonds9

About ethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate

ethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate (PubChem CID 70103949) has the molecular formula C27H27N3O7 and a molecular weight of 505.53 g/mol. Its IUPAC name is ethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Nameethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate
PubChem CID70103949
Molecular FormulaC27H27N3O7
Molecular Weight505.53 g/mol
Exact Mass505.18
IUPAC Nameethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate
SMILESCCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C27H27N3O7/c1-5-37-26(33)21-14-23(35-3)24(36-4)15-22(21)30-25(32)18-8-12-20(13-9-18)29-27(34)28-19-10-6-17(7-11-19)16(2)31/h6-15H,5H2,1-4H3,(H,30,32)(H2,28,29,34)
InChIKeyGYOJMJUICZBLOL-UHFFFAOYSA-N
XLogP4.98
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.53
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate
CID 70104558
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
ethyl 4-ethoxy-5-methoxy-2-[2-[4-(phenylcarbamoylamino)phenyl]propanoylamino]benzoate
CID 70107357
ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
CID 19226546
ethyl 4,5-difluoro-2-[[4-(pyridin-3-ylcarbamoylamino)benzoyl]amino]benzoate
CID 70102690
methyl 4-(difluoromethoxy)-5-methoxy-2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]benzoate
CID 55913127
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate
CID 23881279
1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458
ethyl 4-hydroxy-5-methoxy-2-[2-[4-(phenylcarbamoylamino)phenyl]propanoylamino]benzoate
CID 70105157
ethyl 2-[1-amino-2-[4-[(4-aminophenyl)carbamoylamino]phenyl]-1-oxopropan-2-yl]-4,5-dimethoxybenzoate
CID 70104923

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate?
The IUPAC name of ethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate (CID 70103949) is ethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for ethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate?
The canonical SMILES for ethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate is CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of ethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate?
The InChIKey is GYOJMJUICZBLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O7/c1-5-37-26(33)21-14-23(35-3)24(36-4)15-22(21)30-25(32)18-8-12-20(13-9-18)29-27(34)28-19-10-6-17(7-11-19)16(2)31/h6-15H,5H2,1-4H3,(H,30,32)(H2,28,29,34).
What are the key properties of ethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate?
ethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate has a molecular weight of 505.53 g/mol, XLogP of 4.98, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 70103949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).