4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide

C20H23N3O2 — CID 4922545

IUPAC4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)NN=CCc2ccccc2)cc1
InChIInChI=1S/C20H23N3O2/c1-15(2)14-19(24)22-18-10-8-17(9-11-18)20(25)23-21-13-12-16-6-4-3-5-7-16/h3-11,13,15H,12,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQWCCGAPHYIUQSC-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.63
Rot. Bonds7

About 4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide

4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide (PubChem CID 4922545) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide.

Molecular Properties

Compound Name4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide
PubChem CID4922545
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)NN=CCc2ccccc2)cc1
InChIInChI=1S/C20H23N3O2/c1-15(2)14-19(24)22-18-10-8-17(9-11-18)20(25)23-21-13-12-16-6-4-3-5-7-16/h3-11,13,15H,12,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQWCCGAPHYIUQSC-UHFFFAOYSA-N
XLogP3.63
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.63
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

4-(3-methylbutanoylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 17234592
N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]-4-(3-methylbutanoylamino)benzamide
CID 6117901
4-(3-methylbutanoylamino)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6117811
N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide
CID 6231536
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
N-[2-(4-chlorophenyl)ethylideneamino]benzamide
CID 123356691
N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide
CID 33034304
N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 33036805
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide
CID 5227742
N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide
CID 4925727

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide?
The IUPAC name of 4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide (CID 4922545) is 4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide.
What is the SMILES notation for 4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide?
The canonical SMILES for 4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide is CC(C)CC(=O)Nc1ccc(C(=O)NN=CCc2ccccc2)cc1.
What is the InChIKey of 4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide?
The InChIKey is QWCCGAPHYIUQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(2)14-19(24)22-18-10-8-17(9-11-18)20(25)23-21-13-12-16-6-4-3-5-7-16/h3-11,13,15H,12,14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide?
4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide has a molecular weight of 337.42 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide is sourced from PubChem (CID 4922545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).