(E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide

C25H21NO — CID 10784128

IUPAC(E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide
SMILESCNC(=O)/C=C(\c1ccccc1C)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C25H21NO/c1-17-9-3-5-11-19(17)24(16-25(27)26-2)23-15-18-10-4-6-12-20(18)21-13-7-8-14-22(21)23/h3-16H,1-2H3,(H,26,27)/b24-16+
InChIKeyLWJBUKYSZXAHMJ-LFVJCYFKSA-N
MW351.45 g/mol
LogP5.48
Rot. Bonds3

About (E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide

(E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide (PubChem CID 10784128) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is (E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide
PubChem CID10784128
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name(E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide
SMILESCNC(=O)/C=C(\c1ccccc1C)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C25H21NO/c1-17-9-3-5-11-19(17)24(16-25(27)26-2)23-15-18-10-4-6-12-20(18)21-13-7-8-14-22(21)23/h3-16H,1-2H3,(H,26,27)/b24-16+
InChIKeyLWJBUKYSZXAHMJ-LFVJCYFKSA-N
XLogP5.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(E)-2-[4-[(E)-2-(4-acetylphenyl)-1-phenanthren-9-ylethenyl]phenyl]-2-phenanthren-9-ylethenyl]phenyl]ethanone
CID 11158386
(E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide
CID 69174098
2,2-dichloro-1-phenanthren-9-ylethanone
CID 146007827
4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide
CID 54318680
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide
CID 143475509
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate
CID 70419012
N,4-dimethylnaphthalene-1-carboxamide
CID 90054861
3,4-dimethylnaphthalene-2-carboxylic acid
CID 163849681
N,2-dimethylbenzamide;trifluoroborane
CID 174957672
1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene
CID 21440630

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide (CID 10784128) is (E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide is CNC(=O)/C=C(\c1ccccc1C)c1cc2ccccc2c2ccccc12.
What is the InChIKey of (E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide?
The InChIKey is LWJBUKYSZXAHMJ-LFVJCYFKSA-N. The full InChI is InChI=1S/C25H21NO/c1-17-9-3-5-11-19(17)24(16-25(27)26-2)23-15-18-10-4-6-12-20(18)21-13-7-8-14-22(21)23/h3-16H,1-2H3,(H,26,27)/b24-16+.
What are the key properties of (E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide?
(E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide has a molecular weight of 351.45 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(2-methylphenyl)-3-phenanthren-9-ylprop-2-enamide is sourced from PubChem (CID 10784128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).