ethyl N-[4-(4-cyanoanilino)phenyl]carbamate

C16H15N3O2 — CID 112990074

IUPACethyl N-[4-(4-cyanoanilino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-21-16(20)19-15-9-7-14(8-10-15)18-13-5-3-12(11-17)4-6-13/h3-10,18H,2H2,1H3,(H,19,20)
InChIKeyATBKSMFLTSABMT-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.87
Rot. Bonds4

About ethyl N-[4-(4-cyanoanilino)phenyl]carbamate

ethyl N-[4-(4-cyanoanilino)phenyl]carbamate (PubChem CID 112990074) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl N-[4-(4-cyanoanilino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(4-cyanoanilino)phenyl]carbamate
PubChem CID112990074
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl N-[4-(4-cyanoanilino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-21-16(20)19-15-9-7-14(8-10-15)18-13-5-3-12(11-17)4-6-13/h3-10,18H,2H2,1H3,(H,19,20)
InChIKeyATBKSMFLTSABMT-UHFFFAOYSA-N
XLogP3.87
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-(4-cyanophenyl)carbamate
CID 79345947
ethyl N-[4-(1,2,2-tricyanoethenylamino)phenyl]carbamate
CID 168606743
ethyl N-[4-[2-(4-fluorophenyl)ethynyl]phenyl]carbamate
CID 102582273
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
ethyl 2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylacetate
CID 4089203
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
[2-(4-cyanoanilino)-2-oxoethyl] propanoate
CID 7851425
(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate
CID 79341766
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
ethyl N-[4-(methoxymethoxy)phenyl]carbamate
CID 19896200

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(4-cyanoanilino)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(4-cyanoanilino)phenyl]carbamate (CID 112990074) is ethyl N-[4-(4-cyanoanilino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(4-cyanoanilino)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(4-cyanoanilino)phenyl]carbamate is CCOC(=O)Nc1ccc(Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of ethyl N-[4-(4-cyanoanilino)phenyl]carbamate?
The InChIKey is ATBKSMFLTSABMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-21-16(20)19-15-9-7-14(8-10-15)18-13-5-3-12(11-17)4-6-13/h3-10,18H,2H2,1H3,(H,19,20).
What are the key properties of ethyl N-[4-(4-cyanoanilino)phenyl]carbamate?
ethyl N-[4-(4-cyanoanilino)phenyl]carbamate has a molecular weight of 281.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(4-cyanoanilino)phenyl]carbamate is sourced from PubChem (CID 112990074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).