ethyl N-(3-propoxyphenyl)carbamate

C12H17NO3 — CID 60643143

IUPACethyl N-(3-propoxyphenyl)carbamate
SMILESCCCOc1cccc(NC(=O)OCC)c1
InChIInChI=1S/C12H17NO3/c1-3-8-16-11-7-5-6-10(9-11)13-12(14)15-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyBSUJNERFPOHKFI-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.04
Rot. Bonds5

About ethyl N-(3-propoxyphenyl)carbamate

ethyl N-(3-propoxyphenyl)carbamate (PubChem CID 60643143) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl N-(3-propoxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-propoxyphenyl)carbamate
PubChem CID60643143
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl N-(3-propoxyphenyl)carbamate
SMILESCCCOc1cccc(NC(=O)OCC)c1
InChIInChI=1S/C12H17NO3/c1-3-8-16-11-7-5-6-10(9-11)13-12(14)15-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyBSUJNERFPOHKFI-UHFFFAOYSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-(ethylamino)-N-(3-propoxyphenyl)acetamide
CID 54820704
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
2-(dimethylamino)-N-(3-propoxyphenyl)acetamide
CID 54843924
[3-(propoxycarbonylamino)phenyl] carbonochloridate
CID 71444163
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride
CID 119715008
5-methyl-N-(3-propoxyphenyl)furan-2-carboxamide
CID 2260679

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-propoxyphenyl)carbamate?
The IUPAC name of ethyl N-(3-propoxyphenyl)carbamate (CID 60643143) is ethyl N-(3-propoxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(3-propoxyphenyl)carbamate?
The canonical SMILES for ethyl N-(3-propoxyphenyl)carbamate is CCCOc1cccc(NC(=O)OCC)c1.
What is the InChIKey of ethyl N-(3-propoxyphenyl)carbamate?
The InChIKey is BSUJNERFPOHKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-8-16-11-7-5-6-10(9-11)13-12(14)15-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-(3-propoxyphenyl)carbamate?
ethyl N-(3-propoxyphenyl)carbamate has a molecular weight of 223.27 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-propoxyphenyl)carbamate is sourced from PubChem (CID 60643143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).