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

C23H30N2O — CID 56695059

IUPACN-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(/N=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O/c1-4-5-6-7-8-23(26)25-22-15-13-21(14-16-22)24-17-19-9-11-20(12-10-19)18(2)3/h9-18H,4-8H2,1-3H3,(H,25,26)/b24-17+
InChIKeyRRLPACWBDWSGOR-JJIBRWJFSA-N
MW350.51 g/mol
LogP6.47
Rot. Bonds9

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

N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide (PubChem CID 56695059) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide.

Molecular Properties

Compound NameN-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide
PubChem CID56695059
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(/N=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O/c1-4-5-6-7-8-23(26)25-22-15-13-21(14-16-22)24-17-19-9-11-20(12-10-19)18(2)3/h9-18H,4-8H2,1-3H3,(H,25,26)/b24-17+
InChIKeyRRLPACWBDWSGOR-JJIBRWJFSA-N
XLogP6.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide
CID 835055
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-(1-aminoethyl)phenyl]nonanamide
CID 65449674
N-(4-butan-2-ylphenyl)tetradecanamide
CID 4191696
N-[4-[1-(methylamino)ethyl]phenyl]nonanamide
CID 65449865
5-oxo-5-(4-propan-2-ylanilino)pentanoate
CID 7038718
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-(4-ethenylphenyl)hexanamide
CID 132540479
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783
N-(4-acetamidophenyl)hexanamide
CID 4953736
4-[4-[(4-hydroxyphenyl)methylideneamino]anilino]-4-oxobutanoic acid
CID 135609066

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide?
The IUPAC name of N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide (CID 56695059) is N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide.
What is the SMILES notation for N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide?
The canonical SMILES for N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide is CCCCCCC(=O)Nc1ccc(/N=C/c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide?
The InChIKey is RRLPACWBDWSGOR-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H30N2O/c1-4-5-6-7-8-23(26)25-22-15-13-21(14-16-22)24-17-19-9-11-20(12-10-19)18(2)3/h9-18H,4-8H2,1-3H3,(H,25,26)/b24-17+.
What are the key properties of N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide?
N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide has a molecular weight of 350.51 g/mol, XLogP of 6.47, 9 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]heptanamide is sourced from PubChem (CID 56695059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).