methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate

C13H19NO2 — CID 115190601

IUPACmethyl N-methyl-N-[(4-propylphenyl)methyl]carbamate
SMILESCCCc1ccc(CN(C)C(=O)OC)cc1
InChIInChI=1S/C13H19NO2/c1-4-5-11-6-8-12(9-7-11)10-14(2)13(15)16-3/h6-9H,4-5,10H2,1-3H3
InChIKeyFABOPJDNMNIMNB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.84
Rot. Bonds4

About methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate

methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate (PubChem CID 115190601) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[(4-propylphenyl)methyl]carbamate
PubChem CID115190601
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl N-methyl-N-[(4-propylphenyl)methyl]carbamate
SMILESCCCc1ccc(CN(C)C(=O)OC)cc1
InChIInChI=1S/C13H19NO2/c1-4-5-11-6-8-12(9-7-11)10-14(2)13(15)16-3/h6-9H,4-5,10H2,1-3H3
InChIKeyFABOPJDNMNIMNB-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
CID 61044601
methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 115190583
3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide
CID 115139143
2-amino-N,2-dimethyl-N-[(4-propylphenyl)methyl]propanamide
CID 115152710
methyl-(4-propylphenyl)carbamic acid
CID 115170704
1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea
CID 115169449
N',N'-dimethyl-2-(4-propylphenyl)acetohydrazide
CID 116847421
methyl N-[(4-propylphenyl)methyl]carbamate
CID 110780430
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161
propyl N-methyl-N-[(4-phosphonooxyphenyl)methyl]carbamate
CID 176979366
5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one
CID 115236578
methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate
CID 138047168

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate?
The IUPAC name of methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate (CID 115190601) is methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate is CCCc1ccc(CN(C)C(=O)OC)cc1.
What is the InChIKey of methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate?
The InChIKey is FABOPJDNMNIMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-5-11-6-8-12(9-7-11)10-14(2)13(15)16-3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate?
methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate has a molecular weight of 221.30 g/mol, XLogP of 2.84, 4 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-propylphenyl)methyl]carbamate is sourced from PubChem (CID 115190601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).