methyl N-(3-ethyl-2-propylphenyl)carbamate

C13H19NO2 — CID 142214642

IUPACmethyl N-(3-ethyl-2-propylphenyl)carbamate
SMILESCCCc1c(CC)cccc1NC(=O)OC
InChIInChI=1S/C13H19NO2/c1-4-7-11-10(5-2)8-6-9-12(11)14-13(15)16-3/h6,8-9H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyIVMNESMUNOIWSP-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.38
Rot. Bonds4

About methyl N-(3-ethyl-2-propylphenyl)carbamate

methyl N-(3-ethyl-2-propylphenyl)carbamate (PubChem CID 142214642) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl N-(3-ethyl-2-propylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-ethyl-2-propylphenyl)carbamate
PubChem CID142214642
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl N-(3-ethyl-2-propylphenyl)carbamate
SMILESCCCc1c(CC)cccc1NC(=O)OC
InChIInChI=1S/C13H19NO2/c1-4-7-11-10(5-2)8-6-9-12(11)14-13(15)16-3/h6,8-9H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyIVMNESMUNOIWSP-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-diethylphenyl)propanamide
CID 142121633
carbamothioic S-acid;(2,3-dipropylphenyl)carbamothioic S-acid
CID 87984747
N-(2-butyl-3-ethylphenyl)butanamide
CID 71106739
2-chloro-N-(2,3-diethylphenyl)acetamide
CID 21117145
(2,3-didodecylphenyl)carbamic acid
CID 151626949
(2,3-dihexylphenyl)carbamic acid
CID 67251451
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
methyl N-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-ethylphenyl]carbamate
CID 126588372
trizinc;bis((2,3-dipropylphenyl)carbamodithioic acid);disulfide
CID 173085467
methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate
CID 129038513
(2,3-dipropylphenyl)sulfamic acid
CID 141410082
methyl N-(2-propoxyphenyl)carbamate
CID 19872099

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-ethyl-2-propylphenyl)carbamate?
The IUPAC name of methyl N-(3-ethyl-2-propylphenyl)carbamate (CID 142214642) is methyl N-(3-ethyl-2-propylphenyl)carbamate.
What is the SMILES notation for methyl N-(3-ethyl-2-propylphenyl)carbamate?
The canonical SMILES for methyl N-(3-ethyl-2-propylphenyl)carbamate is CCCc1c(CC)cccc1NC(=O)OC.
What is the InChIKey of methyl N-(3-ethyl-2-propylphenyl)carbamate?
The InChIKey is IVMNESMUNOIWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-7-11-10(5-2)8-6-9-12(11)14-13(15)16-3/h6,8-9H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of methyl N-(3-ethyl-2-propylphenyl)carbamate?
methyl N-(3-ethyl-2-propylphenyl)carbamate has a molecular weight of 221.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-ethyl-2-propylphenyl)carbamate is sourced from PubChem (CID 142214642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).