phenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate

C16H14N2O4 — CID 22216108

IUPACphenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate
SMILESCc1ccc(C(=O)N(C(N)=O)C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H14N2O4/c1-11-7-9-12(10-8-11)14(19)18(15(17)20)16(21)22-13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,20)
InChIKeyMJQAAUZKKCTHDA-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.71
Rot. Bonds2

About phenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate

phenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate (PubChem CID 22216108) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is phenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate.

Molecular Properties

Compound Namephenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate
PubChem CID22216108
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Namephenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate
SMILESCc1ccc(C(=O)N(C(N)=O)C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H14N2O4/c1-11-7-9-12(10-8-11)14(19)18(15(17)20)16(21)22-13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,20)
InChIKeyMJQAAUZKKCTHDA-UHFFFAOYSA-N
XLogP2.71
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57060406
N-benzoyl-4-methylbenzohydrazide
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CID 69411182
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
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phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate
CID 60734083
heptane;phenyl 4-methylbenzoate
CID 174915519
phenyl 4-[(4-methylphenoxy)methoxy]benzoate
CID 21306270
formaldehyde;(4-methylphenyl) benzoate
CID 143467602
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate
CID 15732482
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
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N-[(Z)-ethylideneamino]-4-methyl-N-phenylbenzamide
CID 23275030

Frequently Asked Questions

What is the IUPAC name of phenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate?
The IUPAC name of phenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate (CID 22216108) is phenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate.
What is the SMILES notation for phenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate?
The canonical SMILES for phenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate is Cc1ccc(C(=O)N(C(N)=O)C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate?
The InChIKey is MJQAAUZKKCTHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-11-7-9-12(10-8-11)14(19)18(15(17)20)16(21)22-13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,20).
What are the key properties of phenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate?
phenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate has a molecular weight of 298.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate is sourced from PubChem (CID 22216108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).