(4-tert-butylphenyl) N-methyl-N-phenylcarbamate

C18H21NO2 — CID 974996

IUPAC(4-tert-butylphenyl) N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)14-10-12-16(13-11-14)21-17(20)19(4)15-8-6-5-7-9-15/h5-13H,1-4H3
InChIKeyOICHJZBXSCSCLW-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.62
Rot. Bonds2

About (4-tert-butylphenyl) N-methyl-N-phenylcarbamate

(4-tert-butylphenyl) N-methyl-N-phenylcarbamate (PubChem CID 974996) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (4-tert-butylphenyl) N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name(4-tert-butylphenyl) N-methyl-N-phenylcarbamate
PubChem CID974996
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(4-tert-butylphenyl) N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)14-10-12-16(13-11-14)21-17(20)19(4)15-8-6-5-7-9-15/h5-13H,1-4H3
InChIKeyOICHJZBXSCSCLW-UHFFFAOYSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-Isopropyl-2-methylphenyl carbanilate
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4-Ethylphenyl phenylcarbamate
CID 2834241
5-((4-Isopropylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887370
5-[(4-Tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 46887372
Carbanilic acid, p-tolyl ester
CID 27816
4-Cyclohexylphenyl N-phenylcarbamate
CID 306463
4-Propionylphenyl methyl(phenyl)carbamate
CID 969672
phenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3233953
Phenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3234366
Phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3235440

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl) N-methyl-N-phenylcarbamate?
The IUPAC name of (4-tert-butylphenyl) N-methyl-N-phenylcarbamate (CID 974996) is (4-tert-butylphenyl) N-methyl-N-phenylcarbamate.
What is the SMILES notation for (4-tert-butylphenyl) N-methyl-N-phenylcarbamate?
The canonical SMILES for (4-tert-butylphenyl) N-methyl-N-phenylcarbamate is CN(C(=O)Oc1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of (4-tert-butylphenyl) N-methyl-N-phenylcarbamate?
The InChIKey is OICHJZBXSCSCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)14-10-12-16(13-11-14)21-17(20)19(4)15-8-6-5-7-9-15/h5-13H,1-4H3.
What are the key properties of (4-tert-butylphenyl) N-methyl-N-phenylcarbamate?
(4-tert-butylphenyl) N-methyl-N-phenylcarbamate has a molecular weight of 283.37 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl) N-methyl-N-phenylcarbamate is sourced from PubChem (CID 974996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).