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

C13H19NO2 — CID 115190583

IUPACmethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
SMILESCOC(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)12-7-5-11(6-8-12)9-14(3)13(15)16-4/h5-8,10H,9H2,1-4H3
InChIKeyRECYZURHLUWGCM-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.01
Rot. Bonds3

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

methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate (PubChem CID 115190583) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
PubChem CID115190583
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
SMILESCOC(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)12-7-5-11(6-8-12)9-14(3)13(15)16-4/h5-8,10H,9H2,1-4H3
InChIKeyRECYZURHLUWGCM-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.01
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
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
CID 61044601
1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
CID 47127099
benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 118284724
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231087
methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate
CID 115190601
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 62671042
methyl 3-methyl-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]butanoate
CID 177063985
3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide
CID 62838320
methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate
CID 138047168
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78914551

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate?
The IUPAC name of methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate (CID 115190583) is methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate is COC(=O)N(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate?
The InChIKey is RECYZURHLUWGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)12-7-5-11(6-8-12)9-14(3)13(15)16-4/h5-8,10H,9H2,1-4H3.
What are the key properties of methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate?
methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate has a molecular weight of 221.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate is sourced from PubChem (CID 115190583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).