3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide

C17H18N2O2 — CID 40542957

IUPAC3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
SMILESCOc1cccc(C(=O)N/N=C\[C@H](C)c2ccccc2)c1
InChIInChI=1S/C17H18N2O2/c1-13(14-7-4-3-5-8-14)12-18-19-17(20)15-9-6-10-16(11-15)21-2/h3-13H,1-2H3,(H,19,20)/b18-12-/t13-/m0/s1
InChIKeyROIXRQUMTWTZAJ-CYUIRQCWSA-N
MW282.34 g/mol
LogP3.21
Rot. Bonds5

About 3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide

3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide (PubChem CID 40542957) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
PubChem CID40542957
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
SMILESCOc1cccc(C(=O)N/N=C\[C@H](C)c2ccccc2)c1
InChIInChI=1S/C17H18N2O2/c1-13(14-7-4-3-5-8-14)12-18-19-17(20)15-9-6-10-16(11-15)21-2/h3-13H,1-2H3,(H,19,20)/b18-12-/t13-/m0/s1
InChIKeyROIXRQUMTWTZAJ-CYUIRQCWSA-N
XLogP3.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 5391559
3-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7723125
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
4-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 4152734
3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide
CID 3582022
4-tert-butyl-N-(2-phenylpropylideneamino)benzamide
CID 4694795
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide
CID 8869920
N-(butylideneamino)-3-methoxybenzamide
CID 4229837
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide?
The IUPAC name of 3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide (CID 40542957) is 3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide.
What is the SMILES notation for 3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide?
The canonical SMILES for 3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide is COc1cccc(C(=O)N/N=C\[C@H](C)c2ccccc2)c1.
What is the InChIKey of 3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide?
The InChIKey is ROIXRQUMTWTZAJ-CYUIRQCWSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13(14-7-4-3-5-8-14)12-18-19-17(20)15-9-6-10-16(11-15)21-2/h3-13H,1-2H3,(H,19,20)/b18-12-/t13-/m0/s1.
What are the key properties of 3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide?
3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide has a molecular weight of 282.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide is sourced from PubChem (CID 40542957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).