methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate

C17H18N2O3 — CID 58399637

IUPACmethyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(C(=O)Nc2ccccc2C)c1C
InChIInChI=1S/C17H18N2O3/c1-11-7-4-5-9-14(11)18-16(20)13-8-6-10-15(12(13)2)19-17(21)22-3/h4-10H,1-3H3,(H,18,20)(H,19,21)
InChIKeyTYQACTCFKPNDSY-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.73
Rot. Bonds3

About methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate

methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate (PubChem CID 58399637) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate
PubChem CID58399637
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(C(=O)Nc2ccccc2C)c1C
InChIInChI=1S/C17H18N2O3/c1-11-7-4-5-9-14(11)18-16(20)13-8-6-10-15(12(13)2)19-17(21)22-3/h4-10H,1-3H3,(H,18,20)(H,19,21)
InChIKeyTYQACTCFKPNDSY-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
3-(methoxycarbonylamino)-2-methylbenzoic acid
CID 62947415
methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate
CID 23402332
N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide
CID 113368793
2-[(2,3-dimethylphenyl)carbamoyl]benzoate
CID 6950917
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate
CID 9326527
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
N-(2-methylphenyl)-2-(propan-2-ylamino)benzamide
CID 63107622
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
CID 777419
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate (CID 58399637) is methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate is COC(=O)Nc1cccc(C(=O)Nc2ccccc2C)c1C.
What is the InChIKey of methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate?
The InChIKey is TYQACTCFKPNDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-7-4-5-9-14(11)18-16(20)13-8-6-10-15(12(13)2)19-17(21)22-3/h4-10H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate?
methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate has a molecular weight of 298.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 58399637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).