[3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate

C14H18N2O5 — CID 163714434

IUPAC[3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate
SMILESCCOC(=O)Nc1cccc(OC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H18N2O5/c1-2-20-13(17)15-11-4-3-5-12(10-11)21-14(18)16-6-8-19-9-7-16/h3-5,10H,2,6-9H2,1H3,(H,15,17)
InChIKeyKMCKHFMDZHEZDH-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.09
Rot. Bonds3

About [3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate

[3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate (PubChem CID 163714434) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is [3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate
PubChem CID163714434
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name[3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate
SMILESCCOC(=O)Nc1cccc(OC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H18N2O5/c1-2-20-13(17)15-11-4-3-5-12(10-11)21-14(18)16-6-8-19-9-7-16/h3-5,10H,2,6-9H2,1H3,(H,15,17)
InChIKeyKMCKHFMDZHEZDH-UHFFFAOYSA-N
XLogP2.09
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate
CID 27243445
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate
CID 30582105
2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
CID 3087063
[8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate
CID 649992
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
[3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate
CID 51154456
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832632
2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate?
The IUPAC name of [3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate (CID 163714434) is [3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate?
The canonical SMILES for [3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate is CCOC(=O)Nc1cccc(OC(=O)N2CCOCC2)c1.
What is the InChIKey of [3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate?
The InChIKey is KMCKHFMDZHEZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-20-13(17)15-11-4-3-5-12(10-11)21-14(18)16-6-8-19-9-7-16/h3-5,10H,2,6-9H2,1H3,(H,15,17).
What are the key properties of [3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate?
[3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 163714434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).