methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate

C23H22N2O4 — CID 101217153

IUPACmethyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2ccc(C)c(-c3ccc(NC(=O)OC)cc3)c2)cc1
InChIInChI=1S/C23H22N2O4/c1-15-4-5-18(16-6-10-19(11-7-16)24-22(26)28-2)14-21(15)17-8-12-20(13-9-17)25-23(27)29-3/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyMVBWRMFSQBKDMC-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.69
Rot. Bonds4

About methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate

methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate (PubChem CID 101217153) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate
PubChem CID101217153
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Namemethyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2ccc(C)c(-c3ccc(NC(=O)OC)cc3)c2)cc1
InChIInChI=1S/C23H22N2O4/c1-15-4-5-18(16-6-10-19(11-7-16)24-22(26)28-2)14-21(15)17-8-12-20(13-9-17)25-23(27)29-3/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyMVBWRMFSQBKDMC-UHFFFAOYSA-N
XLogP5.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

butane;methyl N-(4-methylphenyl)carbamate
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methyl N-(4-chloro-3-methylphenyl)carbamate
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methyl N-(4-sulfanylphenyl)carbamate
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methyl N-(3-cyanato-4-methylphenyl)carbamate
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[4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane
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tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate
CID 53221133
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
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methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate
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methyl N-[4-(furan-2-yl)phenyl]carbamate
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methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate (CID 101217153) is methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate is COC(=O)Nc1ccc(-c2ccc(C)c(-c3ccc(NC(=O)OC)cc3)c2)cc1.
What is the InChIKey of methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate?
The InChIKey is MVBWRMFSQBKDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-4-5-18(16-6-10-19(11-7-16)24-22(26)28-2)14-21(15)17-8-12-20(13-9-17)25-23(27)29-3/h4-14H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate?
methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate has a molecular weight of 390.44 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate is sourced from PubChem (CID 101217153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).