[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate

C23H21N3O5 — CID 24558009

IUPAC[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate
SMILESCOc1ccc(NC(=O)c2ccc(COC(=O)c3ccc(NC(N)=O)cc3)cc2)cc1
InChIInChI=1S/C23H21N3O5/c1-30-20-12-10-18(11-13-20)25-21(27)16-4-2-15(3-5-16)14-31-22(28)17-6-8-19(9-7-17)26-23(24)29/h2-13H,14H2,1H3,(H,25,27)(H3,24,26,29)
InChIKeyWGNBBPXLLDYCDH-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.80
Rot. Bonds7

About [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate

[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate (PubChem CID 24558009) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate
PubChem CID24558009
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate
SMILESCOc1ccc(NC(=O)c2ccc(COC(=O)c3ccc(NC(N)=O)cc3)cc2)cc1
InChIInChI=1S/C23H21N3O5/c1-30-20-12-10-18(11-13-20)25-21(27)16-4-2-15(3-5-16)14-31-22(28)17-6-8-19(9-7-17)26-23(24)29/h2-13H,14H2,1H3,(H,25,27)(H3,24,26,29)
InChIKeyWGNBBPXLLDYCDH-UHFFFAOYSA-N
XLogP3.80
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 1214009
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate
CID 24557435
(3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 2224729
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519
(4-methylsulfanylphenyl)methyl 4-(carbamoylamino)benzoate
CID 2528078
4-(carbamoylamino)-N-(3,5-dimethoxyphenyl)benzamide
CID 4786525
[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 4-(methoxymethyl)benzoate
CID 36581277
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 5-nitrothiophene-2-carboxylate
CID 24557713
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate
CID 2199290

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate?
The IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate (CID 24558009) is [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate.
What is the SMILES notation for [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate?
The canonical SMILES for [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate is COc1ccc(NC(=O)c2ccc(COC(=O)c3ccc(NC(N)=O)cc3)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate?
The InChIKey is WGNBBPXLLDYCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-30-20-12-10-18(11-13-20)25-21(27)16-4-2-15(3-5-16)14-31-22(28)17-6-8-19(9-7-17)26-23(24)29/h2-13H,14H2,1H3,(H,25,27)(H3,24,26,29).
What are the key properties of [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate?
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate has a molecular weight of 419.44 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate is sourced from PubChem (CID 24558009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).