(Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide

C23H23N3O2 — CID 66893904

IUPAC(Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide
SMILESCOc1ccccc1NCc1ccc(/C=C\C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C23H23N3O2/c1-28-22-9-5-4-8-21(22)25-16-18-12-10-17(11-13-18)14-15-23(27)26-20-7-3-2-6-19(20)24/h2-15,25H,16,24H2,1H3,(H,26,27)/b15-14-
InChIKeyXTIGLCAWLHXHJR-PFONDFGASA-N
MW373.46 g/mol
LogP4.54
Rot. Bonds7

About (Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide

(Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide (PubChem CID 66893904) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide
PubChem CID66893904
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide
SMILESCOc1ccccc1NCc1ccc(/C=C\C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C23H23N3O2/c1-28-22-9-5-4-8-21(22)25-16-18-12-10-17(11-13-18)14-15-23(27)26-20-7-3-2-6-19(20)24/h2-15,25H,16,24H2,1H3,(H,26,27)/b15-14-
InChIKeyXTIGLCAWLHXHJR-PFONDFGASA-N
XLogP4.54
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-aminophenyl)-3-[4-[(naphthalen-1-ylamino)methyl]phenyl]prop-2-enamide
CID 20785972
N-(2-aminophenyl)-3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]prop-2-enamide
CID 66893848
N-(2-aminophenyl)-3-[4-[(4-bromoanilino)methyl]phenyl]prop-2-enamide
CID 66893975
N-(2-aminophenyl)-3-[4-[(3,4,5-trimethoxyphenoxy)methyl]phenyl]prop-2-enamide
CID 66893923
(E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfanylmethyl]phenyl]prop-2-enamide
CID 155551155
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39387255
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide
CID 66893989
N-(2-aminophenyl)-3-[4-[(3-chloroanilino)methyl]phenyl]prop-2-enamide
CID 66893901
(E)-N-(2-aminophenyl)-3-[4-[[3-(2-hydroxyethoxy)anilino]methyl]phenyl]prop-2-enamide
CID 20785981
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
(Z)-N-(2-aminophenyl)-3-[3-amino-4-[(3,4,5-trimethoxyanilino)methyl]phenyl]prop-2-enamide
CID 66893238

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide?
The IUPAC name of (Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide (CID 66893904) is (Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide?
The canonical SMILES for (Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide is COc1ccccc1NCc1ccc(/C=C\C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of (Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide?
The InChIKey is XTIGLCAWLHXHJR-PFONDFGASA-N. The full InChI is InChI=1S/C23H23N3O2/c1-28-22-9-5-4-8-21(22)25-16-18-12-10-17(11-13-18)14-15-23(27)26-20-7-3-2-6-19(20)24/h2-15,25H,16,24H2,1H3,(H,26,27)/b15-14-.
What are the key properties of (Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide?
(Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide has a molecular weight of 373.46 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 66893904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).