ethyl N-[3-(2-methylpropoxy)phenyl]carbamate

C13H19NO3 — CID 60643144

IUPACethyl N-[3-(2-methylpropoxy)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C13H19NO3/c1-4-16-13(15)14-11-6-5-7-12(8-11)17-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKeyBRAJPKMLFPMIPW-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.29
Rot. Bonds5

About ethyl N-[3-(2-methylpropoxy)phenyl]carbamate

ethyl N-[3-(2-methylpropoxy)phenyl]carbamate (PubChem CID 60643144) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl N-[3-(2-methylpropoxy)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(2-methylpropoxy)phenyl]carbamate
PubChem CID60643144
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl N-[3-(2-methylpropoxy)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C13H19NO3/c1-4-16-13(15)14-11-6-5-7-12(8-11)17-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKeyBRAJPKMLFPMIPW-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 79346235
ethyl 3-[3-(2-methylpropoxy)anilino]-3-oxopropanoate
CID 17097553
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284739
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
2-amino-2-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 79804776
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(2-methylpropoxy)phenyl]carbamate?
The IUPAC name of ethyl N-[3-(2-methylpropoxy)phenyl]carbamate (CID 60643144) is ethyl N-[3-(2-methylpropoxy)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-(2-methylpropoxy)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-(2-methylpropoxy)phenyl]carbamate is CCOC(=O)Nc1cccc(OCC(C)C)c1.
What is the InChIKey of ethyl N-[3-(2-methylpropoxy)phenyl]carbamate?
The InChIKey is BRAJPKMLFPMIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-16-13(15)14-11-6-5-7-12(8-11)17-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15).
What are the key properties of ethyl N-[3-(2-methylpropoxy)phenyl]carbamate?
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(2-methylpropoxy)phenyl]carbamate is sourced from PubChem (CID 60643144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).