N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide

C16H23N3O2 — CID 46501812

IUPACN-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide
SMILESCCC(C)NC(=O)C/C(C)=N\NC(=O)c1ccccc1C
InChIInChI=1S/C16H23N3O2/c1-5-12(3)17-15(20)10-13(4)18-19-16(21)14-9-7-6-8-11(14)2/h6-9,12H,5,10H2,1-4H3,(H,17,20)(H,19,21)/b18-13-
InChIKeyFKFPXCAMLBBWKR-AQTBWJFISA-N
MW289.38 g/mol
LogP2.41
Rot. Bonds6

About N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide

N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide (PubChem CID 46501812) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide
PubChem CID46501812
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide
SMILESCCC(C)NC(=O)C/C(C)=N\NC(=O)c1ccccc1C
InChIInChI=1S/C16H23N3O2/c1-5-12(3)17-15(20)10-13(4)18-19-16(21)14-9-7-6-8-11(14)2/h6-9,12H,5,10H2,1-4H3,(H,17,20)(H,19,21)/b18-13-
InChIKeyFKFPXCAMLBBWKR-AQTBWJFISA-N
XLogP2.41
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.41
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-(butan-2-ylcarbamothioyl)-2-methylbenzamide
CID 17137466
N-[(Z)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]-4-iodobenzamide
CID 7226939
N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
CID 98157343
2-methyl-N-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide
CID 56693956
N-butan-2-yl-3-(2-methylpropanoylhydrazinylidene)butanamide
CID 5019181
2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide
CID 171979285
N'-[[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]-N-(3-chloro-4-methylphenyl)oxamide
CID 129441113
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
N-[(2S)-1-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 99845714
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
CID 6520046

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide?
The IUPAC name of N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide (CID 46501812) is N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide.
What is the SMILES notation for N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide?
The canonical SMILES for N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide is CCC(C)NC(=O)C/C(C)=N\NC(=O)c1ccccc1C.
What is the InChIKey of N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide?
The InChIKey is FKFPXCAMLBBWKR-AQTBWJFISA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-12(3)17-15(20)10-13(4)18-19-16(21)14-9-7-6-8-11(14)2/h6-9,12H,5,10H2,1-4H3,(H,17,20)(H,19,21)/b18-13-.
What are the key properties of N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide?
N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide is sourced from PubChem (CID 46501812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).