N-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide

C23H23N3O3 — CID 175587587

IUPACN-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide
SMILESCOc1cccc(CNC(=O)c2ccccc2)c1.NC(=O)/C=C/c1ccncc1
InChIInChI=1S/C15H15NO2.C8H8N2O/c1-18-14-9-5-6-12(10-14)11-16-15(17)13-7-3-2-4-8-13;9-8(11)2-1-7-3-5-10-6-4-7/h2-10H,11H2,1H3,(H,16,17);1-6H,(H2,9,11)/b;2-1+
InChIKeyPVGLELQTMYQGEI-WLHGVMLRSA-N
MW389.46 g/mol
LogP3.21
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide

N-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide (PubChem CID 175587587) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide
PubChem CID175587587
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide
SMILESCOc1cccc(CNC(=O)c2ccccc2)c1.NC(=O)/C=C/c1ccncc1
InChIInChI=1S/C15H15NO2.C8H8N2O/c1-18-14-9-5-6-12(10-14)11-16-15(17)13-7-3-2-4-8-13;9-8(11)2-1-7-3-5-10-6-4-7/h2-10H,11H2,1H3,(H,16,17);1-6H,(H2,9,11)/b;2-1+
InChIKeyPVGLELQTMYQGEI-WLHGVMLRSA-N
XLogP3.21
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide
CID 175587638
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 155923762
N-[[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926513
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606
(E)-N-[(3-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 9495702
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide (CID 175587587) is N-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide is COc1cccc(CNC(=O)c2ccccc2)c1.NC(=O)/C=C/c1ccncc1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide?
The InChIKey is PVGLELQTMYQGEI-WLHGVMLRSA-N. The full InChI is InChI=1S/C15H15NO2.C8H8N2O/c1-18-14-9-5-6-12(10-14)11-16-15(17)13-7-3-2-4-8-13;9-8(11)2-1-7-3-5-10-6-4-7/h2-10H,11H2,1H3,(H,16,17);1-6H,(H2,9,11)/b;2-1+.
What are the key properties of N-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide?
N-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide has a molecular weight of 389.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 175587587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).