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

C23H21N3O2 — CID 141278476

IUPACethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate
SMILESCCOC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)c1ccccc1N
InChIInChI=1S/C23H21N3O2/c1-2-28-23(27)26(22-10-6-5-9-21(22)25)16-17-11-13-18(14-12-17)20-8-4-3-7-19(20)15-24/h3-14H,2,16,25H2,1H3
InChIKeyQYDCTLXQXSIBCM-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.97
Rot. Bonds5

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

ethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate (PubChem CID 141278476) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate
PubChem CID141278476
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Nameethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate
SMILESCCOC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)c1ccccc1N
InChIInChI=1S/C23H21N3O2/c1-2-28-23(27)26(22-10-6-5-9-21(22)25)16-17-11-13-18(14-12-17)20-8-4-3-7-19(20)15-24/h3-14H,2,16,25H2,1H3
InChIKeyQYDCTLXQXSIBCM-UHFFFAOYSA-N
XLogP4.97
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-amino-5-phenyl-3-pyridinyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate
CID 10480115
ethyl 3-[butanoyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]-1-methylpyrazole-4-carboxylate
CID 15338344
2-[4-[[bis[[4-(2-cyanophenyl)phenyl]methyl]amino]methyl]phenyl]benzonitrile
CID 90994167
ethyl 3-[4-(2-cyanophenyl)phenyl]prop-2-ynoate
CID 11108581
ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate
CID 19811357
2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide
CID 18150302
methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-hexanoylamino]propanoate
CID 54377595
methyl 3-amino-2-[[4-(2-cyanophenyl)phenyl]methyl]benzoate
CID 18693016
methyl (2R)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate
CID 66577388
N-[[4-(2-cyanophenyl)phenyl]methyl]-N-(4,6-dimethyl-3-nitro-2-pyridinyl)pentanamide
CID 67713891
[(1R,2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]cyclohexyl] ethyl carbonate
CID 70044488
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 7522796

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate?
The IUPAC name of ethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate (CID 141278476) is ethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate is CCOC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)c1ccccc1N.
What is the InChIKey of ethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate?
The InChIKey is QYDCTLXQXSIBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-28-23(27)26(22-10-6-5-9-21(22)25)16-17-11-13-18(14-12-17)20-8-4-3-7-19(20)15-24/h3-14H,2,16,25H2,1H3.
What are the key properties of ethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate?
ethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate has a molecular weight of 371.44 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate is sourced from PubChem (CID 141278476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).