methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate

C16H14N2O3 — CID 47059942

IUPACmethyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2ccccc2C#N)cc1
InChIInChI=1S/C16H14N2O3/c1-20-16(19)18-14-6-8-15(9-7-14)21-11-13-5-3-2-4-12(13)10-17/h2-9H,11H2,1H3,(H,18,19)
InChIKeyPGCXIGODMFFHJU-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.32
Rot. Bonds4

About methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate

methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate (PubChem CID 47059942) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate
PubChem CID47059942
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2ccccc2C#N)cc1
InChIInChI=1S/C16H14N2O3/c1-20-16(19)18-14-6-8-15(9-7-14)21-11-13-5-3-2-4-12(13)10-17/h2-9H,11H2,1H3,(H,18,19)
InChIKeyPGCXIGODMFFHJU-UHFFFAOYSA-N
XLogP3.32
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide
CID 60522164
3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide
CID 52738677
1-[[4-[(2-cyanophenyl)methoxy]benzoyl]amino]-3-methylurea
CID 86835841
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 5109215
(E)-2-cyano-3-[4-[(2-cyanophenyl)methoxy]phenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 21230420
3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide
CID 60572425
(E)-2-cyano-3-[4-[(2-cyanophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)prop-2-enamide
CID 94845942
3-[4-[(2-cyanophenyl)methoxy]phenyl]prop-2-enoic acid
CID 900836
4-[(2-cyanophenyl)methoxy]-N-cyclopentylbenzamide
CID 39717917
methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate
CID 26676915
N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738693
(E)-3-[4-[(2-cyanophenyl)methoxy]phenyl]prop-2-enoate
CID 7230511

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate (CID 47059942) is methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCc2ccccc2C#N)cc1.
What is the InChIKey of methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate?
The InChIKey is PGCXIGODMFFHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-16(19)18-14-6-8-15(9-7-14)21-11-13-5-3-2-4-12(13)10-17/h2-9H,11H2,1H3,(H,18,19).
What are the key properties of methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate?
methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate has a molecular weight of 282.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate is sourced from PubChem (CID 47059942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).