N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide

C13H17N3O2 — CID 71207836

IUPACN-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide
SMILESC/C=N\NC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C13H17N3O2/c1-4-14-16-13(18)10-5-7-11(8-6-10)15-12(17)9(2)3/h4-9H,1-3H3,(H,15,17)(H,16,18)/b14-4-
InChIKeyAXTORVVFXAHZRX-CPSFFCFKSA-N
MW247.30 g/mol
LogP2.02
Rot. Bonds4

About N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide

N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide (PubChem CID 71207836) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide
PubChem CID71207836
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide
SMILESC/C=N\NC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C13H17N3O2/c1-4-14-16-13(18)10-5-7-11(8-6-10)15-12(17)9(2)3/h4-9H,1-3H3,(H,15,17)(H,16,18)/b14-4-
InChIKeyAXTORVVFXAHZRX-CPSFFCFKSA-N
XLogP2.02
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
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)-4-(2-methylpropanoylamino)benzamide
CID 4924958
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 137095702
N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924959
4-(2-methylpropanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980551
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 135460589
4-(2-methylpropanoylamino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6245269
N-[(E)-heptan-2-ylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 54784755
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide (CID 71207836) is N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide is C/C=N\NC(=O)c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide?
The InChIKey is AXTORVVFXAHZRX-CPSFFCFKSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-14-16-13(18)10-5-7-11(8-6-10)15-12(17)9(2)3/h4-9H,1-3H3,(H,15,17)(H,16,18)/b14-4-.
What are the key properties of N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide?
N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide has a molecular weight of 247.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 71207836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).