tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate

C19H23NO2 — CID 143695884

IUPACtert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
SMILESCc1cccc(CN(C(=O)OC(C)(C)C)c2ccccc2)c1
InChIInChI=1S/C19H23NO2/c1-15-9-8-10-16(13-15)14-20(17-11-6-5-7-12-17)18(21)22-19(2,3)4/h5-13H,14H2,1-4H3
InChIKeySULGGKFKLJJXBZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.94
Rot. Bonds3

About tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate

tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate (PubChem CID 143695884) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
PubChem CID143695884
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nametert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
SMILESCc1cccc(CN(C(=O)OC(C)(C)C)c2ccccc2)c1
InChIInChI=1S/C19H23NO2/c1-15-9-8-10-16(13-15)14-20(17-11-6-5-7-12-17)18(21)22-19(2,3)4/h5-13H,14H2,1-4H3
InChIKeySULGGKFKLJJXBZ-UHFFFAOYSA-N
XLogP4.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 10946730
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
2-cyclopentyl-N-[(3-methylphenyl)methyl]-N-phenylacetamide
CID 91043678
tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
CID 102052832
methyl 3-[[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)anilino]methyl]benzoate
CID 54021429
N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide
CID 112977258
tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
CID 19019620
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 130156986
tert-butyl 4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobutanoate
CID 106707109
(2S)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 25417717

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate?
The IUPAC name of tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate (CID 143695884) is tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate.
What is the SMILES notation for tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate?
The canonical SMILES for tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate is Cc1cccc(CN(C(=O)OC(C)(C)C)c2ccccc2)c1.
What is the InChIKey of tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate?
The InChIKey is SULGGKFKLJJXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15-9-8-10-16(13-15)14-20(17-11-6-5-7-12-17)18(21)22-19(2,3)4/h5-13H,14H2,1-4H3.
What are the key properties of tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate?
tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate has a molecular weight of 297.40 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate is sourced from PubChem (CID 143695884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).