N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide

C14H19N3O2 — CID 5333667

IUPACN'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide
SMILESCC/C(C)=N\NC(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O2/c1-3-11(2)16-17-14(19)10-9-13(18)15-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,15,18)(H,17,19)/b16-11-
InChIKeyFIPUBXTYXCSKSN-WJDWOHSUSA-N
MW261.32 g/mol
LogP2.31
Rot. Bonds6

About N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide

N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide (PubChem CID 5333667) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide.

Molecular Properties

Compound NameN'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide
PubChem CID5333667
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide
SMILESCC/C(C)=N\NC(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O2/c1-3-11(2)16-17-14(19)10-9-13(18)15-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,15,18)(H,17,19)/b16-11-
InChIKeyFIPUBXTYXCSKSN-WJDWOHSUSA-N
XLogP2.31
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.31
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

ethyl (3Z)-3-[(4-anilino-4-oxobutanoyl)hydrazinylidene]butanoate
CID 6151884
1-(butan-2-ylideneamino)-3-phenylurea
CID 904424
2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide
CID 7933305
N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
CID 135560062
N-[(4-anilino-4-oxobutan-2-ylidene)amino]dodecanamide
CID 4549541
4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide
CID 3140697
N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
CID 7534633
N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3266986
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide
CID 6371689
N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
CID 40539272

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide?
The IUPAC name of N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide (CID 5333667) is N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide.
What is the SMILES notation for N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide?
The canonical SMILES for N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide is CC/C(C)=N\NC(=O)CCC(=O)Nc1ccccc1.
What is the InChIKey of N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide?
The InChIKey is FIPUBXTYXCSKSN-WJDWOHSUSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-11(2)16-17-14(19)10-9-13(18)15-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,15,18)(H,17,19)/b16-11-.
What are the key properties of N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide?
N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide has a molecular weight of 261.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide is sourced from PubChem (CID 5333667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).