[3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate

C16H24N2O4 — CID 57037994

IUPAC[3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate
SMILESCCCCN(CC)C(=O)Oc1cccc(NC(=O)OCC)c1
InChIInChI=1S/C16H24N2O4/c1-4-7-11-18(5-2)16(20)22-14-10-8-9-13(12-14)17-15(19)21-6-3/h8-10,12H,4-7,11H2,1-3H3,(H,17,19)
InChIKeyDQYGKCVKZWZLSA-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.88
Rot. Bonds7

About [3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate

[3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate (PubChem CID 57037994) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is [3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate.

Molecular Properties

Compound Name[3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate
PubChem CID57037994
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name[3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate
SMILESCCCCN(CC)C(=O)Oc1cccc(NC(=O)OCC)c1
InChIInChI=1S/C16H24N2O4/c1-4-7-11-18(5-2)16(20)22-14-10-8-9-13(12-14)17-15(19)21-6-3/h8-10,12H,4-7,11H2,1-3H3,(H,17,19)
InChIKeyDQYGKCVKZWZLSA-UHFFFAOYSA-N
XLogP3.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dibutylcarbamoylamino)phenyl] acetate
CID 108865229
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
[3-(1-chloropropan-2-yloxycarbonylamino)phenyl] N,N-diethylcarbamate
CID 54450752
[3-(prop-2-ynoxycarbonylamino)phenyl] N-butyl-N-phenylcarbamate
CID 14372424
[3-(butoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105211
[3-(ethoxycarbonylamino)phenyl] N-(cyanomethyl)-N-(2,6-dimethylphenyl)carbamate
CID 22756995
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
[3-(methoxycarbonylamino)phenyl] N-butylcarbamate
CID 26183
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
[3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate
CID 51154456
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate?
The IUPAC name of [3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate (CID 57037994) is [3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate.
What is the SMILES notation for [3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate?
The canonical SMILES for [3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate is CCCCN(CC)C(=O)Oc1cccc(NC(=O)OCC)c1.
What is the InChIKey of [3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate?
The InChIKey is DQYGKCVKZWZLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-7-11-18(5-2)16(20)22-14-10-8-9-13(12-14)17-15(19)21-6-3/h8-10,12H,4-7,11H2,1-3H3,(H,17,19).
What are the key properties of [3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate?
[3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate has a molecular weight of 308.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate is sourced from PubChem (CID 57037994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).