2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol

C19H23N3O — CID 172939181

IUPAC2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol
SMILESCCNc1ccccc1/C=C\CN/N=C(\C)c1ccccc1O
InChIInChI=1S/C19H23N3O/c1-3-20-18-12-6-4-9-16(18)10-8-14-21-22-15(2)17-11-5-7-13-19(17)23/h4-13,20-21,23H,3,14H2,1-2H3/b10-8-,22-15+
InChIKeyMJOQRZQUFVUMHQ-QPGGHLCCSA-N
MW309.41 g/mol
LogP3.85
Rot. Bonds7

About 2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol

2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol (PubChem CID 172939181) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol
PubChem CID172939181
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol
SMILESCCNc1ccccc1/C=C\CN/N=C(\C)c1ccccc1O
InChIInChI=1S/C19H23N3O/c1-3-20-18-12-6-4-9-16(18)10-8-14-21-22-15(2)17-11-5-7-13-19(17)23/h4-13,20-21,23H,3,14H2,1-2H3/b10-8-,22-15+
InChIKeyMJOQRZQUFVUMHQ-QPGGHLCCSA-N
XLogP3.85
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(Z)-prop-1-enyl]aniline
CID 145027913
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CID 152532004
[1-(2-hydroxyphenyl)ethylideneamino]urea
CID 2732242
2-[(Z)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 136755547
N-[1-(2-hydroxyphenyl)ethylideneamino]decanamide
CID 3656120
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]octanamide
CID 135458893
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide
CID 136660084
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673
3-(ethylamino)benzene-1,2-diol
CID 69118528

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol (CID 172939181) is 2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol is CCNc1ccccc1/C=C\CN/N=C(\C)c1ccccc1O.
What is the InChIKey of 2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol?
The InChIKey is MJOQRZQUFVUMHQ-QPGGHLCCSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-20-18-12-6-4-9-16(18)10-8-14-21-22-15(2)17-11-5-7-13-19(17)23/h4-13,20-21,23H,3,14H2,1-2H3/b10-8-,22-15+.
What are the key properties of 2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol?
2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol has a molecular weight of 309.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-[[(Z)-3-[2-(ethylamino)phenyl]prop-2-enyl]amino]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 172939181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).