N-(butylideneamino)-3-methoxybenzamide

C12H16N2O2 — CID 4229837

IUPACN-(butylideneamino)-3-methoxybenzamide
SMILESCCCC=NNC(=O)c1cccc(OC)c1
InChIInChI=1S/C12H16N2O2/c1-3-4-8-13-14-12(15)10-6-5-7-11(9-10)16-2/h5-9H,3-4H2,1-2H3,(H,14,15)
InChIKeyVKCIOXBBDVQTFY-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.21
Rot. Bonds5

About N-(butylideneamino)-3-methoxybenzamide

N-(butylideneamino)-3-methoxybenzamide (PubChem CID 4229837) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(butylideneamino)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(butylideneamino)-3-methoxybenzamide
PubChem CID4229837
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(butylideneamino)-3-methoxybenzamide
SMILESCCCC=NNC(=O)c1cccc(OC)c1
InChIInChI=1S/C12H16N2O2/c1-3-4-8-13-14-12(15)10-6-5-7-11(9-10)16-2/h5-9H,3-4H2,1-2H3,(H,14,15)
InChIKeyVKCIOXBBDVQTFY-UHFFFAOYSA-N
XLogP2.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.21
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

N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137054719
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-3-methoxybenzamide
CID 6027249
3-methoxy-N'-pentanoylbenzohydrazide
CID 3117671
3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 40542957
N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 4056523
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 3979901
3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide
CID 3582022
[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 124605345
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 137172581

Frequently Asked Questions

What is the IUPAC name of N-(butylideneamino)-3-methoxybenzamide?
The IUPAC name of N-(butylideneamino)-3-methoxybenzamide (CID 4229837) is N-(butylideneamino)-3-methoxybenzamide.
What is the SMILES notation for N-(butylideneamino)-3-methoxybenzamide?
The canonical SMILES for N-(butylideneamino)-3-methoxybenzamide is CCCC=NNC(=O)c1cccc(OC)c1.
What is the InChIKey of N-(butylideneamino)-3-methoxybenzamide?
The InChIKey is VKCIOXBBDVQTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-4-8-13-14-12(15)10-6-5-7-11(9-10)16-2/h5-9H,3-4H2,1-2H3,(H,14,15).
What are the key properties of N-(butylideneamino)-3-methoxybenzamide?
N-(butylideneamino)-3-methoxybenzamide has a molecular weight of 220.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylideneamino)-3-methoxybenzamide is sourced from PubChem (CID 4229837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).