methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate

C22H22N4O4 — CID 23026427

IUPACmethyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate
SMILESCOC(=O)Nc1cc(NC(=O)OC)c(Nc2ccccc2)cc1Nc1ccccc1
InChIInChI=1S/C22H22N4O4/c1-29-21(27)25-19-14-20(26-22(28)30-2)18(24-16-11-7-4-8-12-16)13-17(19)23-15-9-5-3-6-10-15/h3-14,23-24H,1-2H3,(H,25,27)(H,26,28)
InChIKeyFRIPQNLRNMDQGH-UHFFFAOYSA-N
MW406.44 g/mol
LogP5.53
Rot. Bonds6

About methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate

methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate (PubChem CID 23026427) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate
PubChem CID23026427
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Namemethyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate
SMILESCOC(=O)Nc1cc(NC(=O)OC)c(Nc2ccccc2)cc1Nc1ccccc1
InChIInChI=1S/C22H22N4O4/c1-29-21(27)25-19-14-20(26-22(28)30-2)18(24-16-11-7-4-8-12-16)13-17(19)23-15-9-5-3-6-10-15/h3-14,23-24H,1-2H3,(H,25,27)(H,26,28)
InChIKeyFRIPQNLRNMDQGH-UHFFFAOYSA-N
XLogP5.53
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.44
LogP ≤ 55.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetamido-2,4-dianilinophenyl)acetamide
CID 23026476
CID 68594224
CID 68594224
ethyl N-(2-anilino-4-methoxyphenyl)carbamate
CID 12930176
ethyl N-(2-anilinophenyl)carbamate
CID 12930175
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
methyl N-(phenylcarbamoyl)carbamate
CID 13097714
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
methyl N-[3,5-bis(methoxycarbonylamino)-2-methylphenyl]carbamate
CID 149435265
dimethyl 2-anilino-5-methylbenzene-1,4-dicarboxylate
CID 59019297
methyl 2-anilino-4,5-dimethoxybenzoate
CID 71428699
methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate
CID 112989692
methyl 4-anilino-5-methylthiophene-2-carboxylate
CID 18537139

Frequently Asked Questions

What is the IUPAC name of methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate?
The IUPAC name of methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate (CID 23026427) is methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate is COC(=O)Nc1cc(NC(=O)OC)c(Nc2ccccc2)cc1Nc1ccccc1.
What is the InChIKey of methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate?
The InChIKey is FRIPQNLRNMDQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-29-21(27)25-19-14-20(26-22(28)30-2)18(24-16-11-7-4-8-12-16)13-17(19)23-15-9-5-3-6-10-15/h3-14,23-24H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate?
methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate has a molecular weight of 406.44 g/mol, XLogP of 5.53, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate is sourced from PubChem (CID 23026427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).