(E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide

C22H21N3O — CID 145084891

IUPAC(E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide
SMILESC/C(=C\c1cc(N)cc(N)c1)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21N3O/c1-15(11-16-12-19(23)14-20(24)13-16)22(26)25-21-9-7-18(8-10-21)17-5-3-2-4-6-17/h2-14H,23-24H2,1H3,(H,25,26)/b15-11+
InChIKeyKZRIJGJOGFKMMW-RVDMUPIBSA-N
MW343.43 g/mol
LogP4.56
Rot. Bonds4

About (E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide

(E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide (PubChem CID 145084891) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is (E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide
PubChem CID145084891
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name(E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide
SMILESC/C(=C\c1cc(N)cc(N)c1)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21N3O/c1-15(11-16-12-19(23)14-20(24)13-16)22(26)25-21-9-7-18(8-10-21)17-5-3-2-4-6-17/h2-14H,23-24H2,1H3,(H,25,26)/b15-11+
InChIKeyKZRIJGJOGFKMMW-RVDMUPIBSA-N
XLogP4.56
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(Z)-3-methyl-4-oxo-4-(4-phenylanilino)but-2-enoic acid
CID 19133057
N-(4-phenylphenyl)acetamide
CID 19998
(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide
CID 889416
methyl 4-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzoate
CID 2188759
(Z)-2-acetamido-3-phenyl-N-(4-phenylphenyl)prop-2-enamide
CID 9206311
(E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide
CID 6140397
N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 4119628
2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-phenylprop-2-enamide
CID 4126605
(E)-3-methyl-4-(4-phenylphenyl)but-3-en-2-one
CID 6040789
2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
CID 4153463
(E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide
CID 110425854
3-amino-N-(4-phenylphenyl)benzamide
CID 757806

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide (CID 145084891) is (E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide is C/C(=C\c1cc(N)cc(N)c1)C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide?
The InChIKey is KZRIJGJOGFKMMW-RVDMUPIBSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15(11-16-12-19(23)14-20(24)13-16)22(26)25-21-9-7-18(8-10-21)17-5-3-2-4-6-17/h2-14H,23-24H2,1H3,(H,25,26)/b15-11+.
What are the key properties of (E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide?
(E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide has a molecular weight of 343.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide is sourced from PubChem (CID 145084891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).