phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate

C22H20N2O2 — CID 15732482

IUPACphenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate
SMILESCc1ccc(/N=C/N(C(=O)Oc2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20N2O2/c1-17-8-12-19(13-9-17)23-16-24(20-14-10-18(2)11-15-20)22(25)26-21-6-4-3-5-7-21/h3-16H,1-2H3/b23-16+
InChIKeyVQLHVDCNZFXXMP-XQNSMLJCSA-N
MW344.41 g/mol
LogP5.67
Rot. Bonds4

About phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate

phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate (PubChem CID 15732482) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate.

Molecular Properties

Compound Namephenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate
PubChem CID15732482
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Namephenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate
SMILESCc1ccc(/N=C/N(C(=O)Oc2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20N2O2/c1-17-8-12-19(13-9-17)23-16-24(20-14-10-18(2)11-15-20)22(25)26-21-6-4-3-5-7-21/h3-16H,1-2H3/b23-16+
InChIKeyVQLHVDCNZFXXMP-XQNSMLJCSA-N
XLogP5.67
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

phenyl N-ethenyl-N-phenylcarbamate
CID 154121806
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-(dimethylamino)benzoate
CID 102305243
phenyl N-methyl-N-prop-2-ynylcarbamate
CID 21388381
phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
CID 60655551
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
phenyl N-carbamoyl-N-(4-methylbenzoyl)carbamate
CID 22216108
2-[4-(dimethylamino)phenoxy]-2-oxoacetic acid;toluene
CID 173323339
phenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate
CID 150593282
phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate
CID 168878000
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 174899385
(4-methylphenoxy)-phenoxycarbonyloxyborinic acid
CID 139843162

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate?
The IUPAC name of phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate (CID 15732482) is phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate.
What is the SMILES notation for phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate?
The canonical SMILES for phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate is Cc1ccc(/N=C/N(C(=O)Oc2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate?
The InChIKey is VQLHVDCNZFXXMP-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-17-8-12-19(13-9-17)23-16-24(20-14-10-18(2)11-15-20)22(25)26-21-6-4-3-5-7-21/h3-16H,1-2H3/b23-16+.
What are the key properties of phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate?
phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate has a molecular weight of 344.41 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate is sourced from PubChem (CID 15732482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).