ethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate

C25H26N2O4 — CID 154140426

IUPACethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate
SMILESCCOC(=O)N(c1ccccc1)c1ccc(C)c(N(C(=O)OCC)c2ccccc2)c1
InChIInChI=1S/C25H26N2O4/c1-4-30-24(28)26(20-12-8-6-9-13-20)22-17-16-19(3)23(18-22)27(25(29)31-5-2)21-14-10-7-11-15-21/h6-18H,4-5H2,1-3H3
InChIKeySJDDDGGLIVSZPX-UHFFFAOYSA-N
MW418.49 g/mol
LogP6.58
Rot. Bonds6

About ethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate

ethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate (PubChem CID 154140426) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is ethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate.

Molecular Properties

Compound Nameethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate
PubChem CID154140426
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Nameethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate
SMILESCCOC(=O)N(c1ccccc1)c1ccc(C)c(N(C(=O)OCC)c2ccccc2)c1
InChIInChI=1S/C25H26N2O4/c1-4-30-24(28)26(20-12-8-6-9-13-20)22-17-16-19(3)23(18-22)27(25(29)31-5-2)21-14-10-7-11-15-21/h6-18H,4-5H2,1-3H3
InChIKeySJDDDGGLIVSZPX-UHFFFAOYSA-N
XLogP6.58
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 87547778
ethyl N,N-bis(4-chlorophenyl)carbamate
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CID 88847626
ethyl N-phenyl-N-pyridin-2-ylcarbamate
CID 2783435
ethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate
CID 175241672
ethyl N-butyl-N-[3-[butyl(ethoxycarbonyl)amino]-4-methylphenyl]carbamate
CID 66871570
ethyl N-carbonochloridoyl-N-phenylcarbamate
CID 54098046
ethyl N-(2-aminoacetyl)-N-phenylcarbamate
CID 174322881
ethyl N-nitro-N-phenylcarbamate
CID 69016279
4-methyl-1-N,3-N-diphenyl-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 158926819
ethyl (Z)-3-hydroxy-2-(N-phenylanilino)but-2-enoate
CID 54687376
1,3-dimethyl-1-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-3-phenylurea
CID 121485750

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate?
The IUPAC name of ethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate (CID 154140426) is ethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate.
What is the SMILES notation for ethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate?
The canonical SMILES for ethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate is CCOC(=O)N(c1ccccc1)c1ccc(C)c(N(C(=O)OCC)c2ccccc2)c1.
What is the InChIKey of ethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate?
The InChIKey is SJDDDGGLIVSZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-4-30-24(28)26(20-12-8-6-9-13-20)22-17-16-19(3)23(18-22)27(25(29)31-5-2)21-14-10-7-11-15-21/h6-18H,4-5H2,1-3H3.
What are the key properties of ethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate?
ethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate has a molecular weight of 418.49 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate is sourced from PubChem (CID 154140426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).