[3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate

C18H18N2O4 — CID 174753311

IUPAC[3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate
SMILESO=C(Nc1cccc(OC(=O)NC2CC2)c1)OCc1ccccc1
InChIInChI=1S/C18H18N2O4/c21-17(23-12-13-5-2-1-3-6-13)20-15-7-4-8-16(11-15)24-18(22)19-14-9-10-14/h1-8,11,14H,9-10,12H2,(H,19,22)(H,20,21)
InChIKeyAYKAANPQNPPDAT-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.69
Rot. Bonds5

About [3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate

[3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate (PubChem CID 174753311) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate.

Molecular Properties

Compound Name[3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate
PubChem CID174753311
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate
SMILESO=C(Nc1cccc(OC(=O)NC2CC2)c1)OCc1ccccc1
InChIInChI=1S/C18H18N2O4/c21-17(23-12-13-5-2-1-3-6-13)20-15-7-4-8-16(11-15)24-18(22)19-14-9-10-14/h1-8,11,14H,9-10,12H2,(H,19,22)(H,20,21)
InChIKeyAYKAANPQNPPDAT-UHFFFAOYSA-N
XLogP3.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzene;phenyl N-cyclopropylcarbamate
CID 171499901
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
[3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate
CID 23469862
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
CID 141445074
(3-phenylphenyl) N-cyclopentylcarbamate
CID 24881674
phenyl N-cyclopentylcarbamate
CID 12791466
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
[4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate
CID 67154778
phenyl N-cyclooctylcarbamate
CID 60636968
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822

Frequently Asked Questions

What is the IUPAC name of [3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate?
The IUPAC name of [3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate (CID 174753311) is [3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate.
What is the SMILES notation for [3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate?
The canonical SMILES for [3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate is O=C(Nc1cccc(OC(=O)NC2CC2)c1)OCc1ccccc1.
What is the InChIKey of [3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate?
The InChIKey is AYKAANPQNPPDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(23-12-13-5-2-1-3-6-13)20-15-7-4-8-16(11-15)24-18(22)19-14-9-10-14/h1-8,11,14H,9-10,12H2,(H,19,22)(H,20,21).
What are the key properties of [3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate?
[3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate has a molecular weight of 326.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate is sourced from PubChem (CID 174753311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).