[2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid

C16H16N2O4 — CID 57032342

IUPAC[2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid
SMILESCOC(=O)Nc1ccccc1N(C(=O)O)c1cccc(C)c1
InChIInChI=1S/C16H16N2O4/c1-11-6-5-7-12(10-11)18(16(20)21)14-9-4-3-8-13(14)17-15(19)22-2/h3-10H,1-2H3,(H,17,19)(H,20,21)
InChIKeyXSSNXGHCJCKYLS-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.99
Rot. Bonds3

About [2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid

[2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid (PubChem CID 57032342) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid.

Molecular Properties

Compound Name[2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid
PubChem CID57032342
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid
SMILESCOC(=O)Nc1ccccc1N(C(=O)O)c1cccc(C)c1
InChIInChI=1S/C16H16N2O4/c1-11-6-5-7-12(10-11)18(16(20)21)14-9-4-3-8-13(14)17-15(19)22-2/h3-10H,1-2H3,(H,17,19)(H,20,21)
InChIKeyXSSNXGHCJCKYLS-UHFFFAOYSA-N
XLogP3.99
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
2-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)propanamide
CID 138358513
[2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid
CID 175129828
3-(methoxycarbonylamino)-2-methylbenzoic acid
CID 62947415
1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide
CID 59642236
2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide
CID 18291286
N-[2-[acetyl(methyl)amino]phenyl]-2-(3-methylphenyl)acetamide
CID 113093793
1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane
CID 143136668
methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate
CID 113057469
methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate
CID 23026427
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197

Frequently Asked Questions

What is the IUPAC name of [2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid?
The IUPAC name of [2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid (CID 57032342) is [2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid.
What is the SMILES notation for [2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid?
The canonical SMILES for [2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid is COC(=O)Nc1ccccc1N(C(=O)O)c1cccc(C)c1.
What is the InChIKey of [2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid?
The InChIKey is XSSNXGHCJCKYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-6-5-7-12(10-11)18(16(20)21)14-9-4-3-8-13(14)17-15(19)22-2/h3-10H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of [2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid?
[2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid has a molecular weight of 300.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxycarbonylamino)phenyl]-(3-methylphenyl)carbamic acid is sourced from PubChem (CID 57032342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).