N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide

C20H24N2O — CID 835055

IUPACN-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(/N=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O/c1-4-5-20(23)22-19-12-10-18(11-13-19)21-14-16-6-8-17(9-7-16)15(2)3/h6-15H,4-5H2,1-3H3,(H,22,23)/b21-14+
InChIKeyBXCGSESLEFRMAW-KGENOOAVSA-N
MW308.42 g/mol
LogP5.30
Rot. Bonds6

About N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide

N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide (PubChem CID 835055) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide
PubChem CID835055
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC NameN-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(/N=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O/c1-4-5-20(23)22-19-12-10-18(11-13-19)21-14-16-6-8-17(9-7-16)15(2)3/h6-15H,4-5H2,1-3H3,(H,22,23)/b21-14+
InChIKeyBXCGSESLEFRMAW-KGENOOAVSA-N
XLogP5.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide
CID 56695059
4-[4-[(4-hydroxyphenyl)methylideneamino]anilino]-4-oxobutanoic acid
CID 135609066
N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202439
1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone
CID 4017717
5-oxo-5-(4-propan-2-ylanilino)pentanoate
CID 7038718
N-(4-formylphenyl)butanamide
CID 14471017
4-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 1240043
N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
CID 119625603
N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 19629770
N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide
CID 835020
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide
CID 4082454

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide?
The IUPAC name of N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide (CID 835055) is N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide.
What is the SMILES notation for N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide?
The canonical SMILES for N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide is CCCC(=O)Nc1ccc(/N=C/c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide?
The InChIKey is BXCGSESLEFRMAW-KGENOOAVSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-5-20(23)22-19-12-10-18(11-13-19)21-14-16-6-8-17(9-7-16)15(2)3/h6-15H,4-5H2,1-3H3,(H,22,23)/b21-14+.
What are the key properties of N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide?
N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide has a molecular weight of 308.42 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide is sourced from PubChem (CID 835055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).