3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide

C20H24N2O2 — CID 119108333

IUPAC3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCNC/C(C)=C/c2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-16(13-17-7-4-3-5-8-17)15-21-11-12-22-20(23)18-9-6-10-19(14-18)24-2/h3-10,13-14,21H,11-12,15H2,1-2H3,(H,22,23)/b16-13+
InChIKeyNJPNYTWWOCTFIQ-DTQAZKPQSA-N
MW324.42 g/mol
LogP3.12
Rot. Bonds8

About 3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide

3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide (PubChem CID 119108333) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide
PubChem CID119108333
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCNC/C(C)=C/c2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-16(13-17-7-4-3-5-8-17)15-21-11-12-22-20(23)18-9-6-10-19(14-18)24-2/h3-10,13-14,21H,11-12,15H2,1-2H3,(H,22,23)/b16-13+
InChIKeyNJPNYTWWOCTFIQ-DTQAZKPQSA-N
XLogP3.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 40718395
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3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108539227
3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide
CID 78846238
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
CID 119703511
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide (CID 119108333) is 3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide is COc1cccc(C(=O)NCCNC/C(C)=C/c2ccccc2)c1.
What is the InChIKey of 3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide?
The InChIKey is NJPNYTWWOCTFIQ-DTQAZKPQSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16(13-17-7-4-3-5-8-17)15-21-11-12-22-20(23)18-9-6-10-19(14-18)24-2/h3-10,13-14,21H,11-12,15H2,1-2H3,(H,22,23)/b16-13+.
What are the key properties of 3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide?
3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]benzamide is sourced from PubChem (CID 119108333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).