(4-propan-2-ylphenyl)methyl N-benzylcarbamate

C18H21NO2 — CID 141057085

IUPAC(4-propan-2-ylphenyl)methyl N-benzylcarbamate
SMILESCC(C)c1ccc(COC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-14(2)17-10-8-16(9-11-17)13-21-18(20)19-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChIKeyJXBFNNQUUSKRLG-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.24
Rot. Bonds5

About (4-propan-2-ylphenyl)methyl N-benzylcarbamate

(4-propan-2-ylphenyl)methyl N-benzylcarbamate (PubChem CID 141057085) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)methyl N-benzylcarbamate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)methyl N-benzylcarbamate
PubChem CID141057085
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(4-propan-2-ylphenyl)methyl N-benzylcarbamate
SMILESCC(C)c1ccc(COC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-14(2)17-10-8-16(9-11-17)13-21-18(20)19-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChIKeyJXBFNNQUUSKRLG-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate
CID 123300594
benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate
CID 21035397
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
(3S)-3-propan-2-yloxy-3-[3-[[(4-propan-2-ylphenyl)methoxycarbonylamino]methyl]phenyl]propanoic acid
CID 69006498
benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
CID 161469953
benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
CID 103393345
benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002
benzyl N-[(4-ethylsulfonylphenyl)methyl]carbamate
CID 110784595
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
2,2,2-trifluoroethyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 61382490
benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate
CID 89155610

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)methyl N-benzylcarbamate?
The IUPAC name of (4-propan-2-ylphenyl)methyl N-benzylcarbamate (CID 141057085) is (4-propan-2-ylphenyl)methyl N-benzylcarbamate.
What is the SMILES notation for (4-propan-2-ylphenyl)methyl N-benzylcarbamate?
The canonical SMILES for (4-propan-2-ylphenyl)methyl N-benzylcarbamate is CC(C)c1ccc(COC(=O)NCc2ccccc2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)methyl N-benzylcarbamate?
The InChIKey is JXBFNNQUUSKRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(2)17-10-8-16(9-11-17)13-21-18(20)19-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,19,20).
What are the key properties of (4-propan-2-ylphenyl)methyl N-benzylcarbamate?
(4-propan-2-ylphenyl)methyl N-benzylcarbamate has a molecular weight of 283.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)methyl N-benzylcarbamate is sourced from PubChem (CID 141057085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).