benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate

C19H23NO2 — CID 118284724

IUPACbenzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
SMILESCC(C)c1ccc(CN(C)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-15(2)18-11-9-16(10-12-18)13-20(3)19(21)22-14-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
InChIKeyPLSOYUDUSMMTCE-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.58
Rot. Bonds5

About benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate

benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate (PubChem CID 118284724) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
PubChem CID118284724
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Namebenzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
SMILESCC(C)c1ccc(CN(C)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-15(2)18-11-9-16(10-12-18)13-20(3)19(21)22-14-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
InChIKeyPLSOYUDUSMMTCE-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 79345773
methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 115190583
benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 130156986
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231087
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
benzyl N,N-dimethylcarbamate
CID 12963450
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide
CID 42961408
[methyl(phenylmethoxycarbonyl)amino]methyl benzoate
CID 143845150
(4-propan-2-ylphenyl)methyl 2-methylpropanoate
CID 58781802

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate?
The IUPAC name of benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate (CID 118284724) is benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate is CC(C)c1ccc(CN(C)C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate?
The InChIKey is PLSOYUDUSMMTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(2)18-11-9-16(10-12-18)13-20(3)19(21)22-14-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3.
What are the key properties of benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate?
benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate has a molecular weight of 297.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate is sourced from PubChem (CID 118284724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).