N-(benzylideneamino)-4-(4-methylanilino)butanamide

C18H21N3O — CID 3551130

IUPACN-(benzylideneamino)-4-(4-methylanilino)butanamide
SMILESCc1ccc(NCCCC(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C18H21N3O/c1-15-9-11-17(12-10-15)19-13-5-8-18(22)21-20-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,19H,5,8,13H2,1H3,(H,21,22)
InChIKeyKGPNRRSRNLZSIY-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.34
Rot. Bonds7

About N-(benzylideneamino)-4-(4-methylanilino)butanamide

N-(benzylideneamino)-4-(4-methylanilino)butanamide (PubChem CID 3551130) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(benzylideneamino)-4-(4-methylanilino)butanamide.

Molecular Properties

Compound NameN-(benzylideneamino)-4-(4-methylanilino)butanamide
PubChem CID3551130
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(benzylideneamino)-4-(4-methylanilino)butanamide
SMILESCc1ccc(NCCCC(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C18H21N3O/c1-15-9-11-17(12-10-15)19-13-5-8-18(22)21-20-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,19H,5,8,13H2,1H3,(H,21,22)
InChIKeyKGPNRRSRNLZSIY-UHFFFAOYSA-N
XLogP3.34
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
4-anilino-N-[(E)-(3-bromophenyl)methylideneamino]butanamide
CID 5331391
4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide
CID 3489457
4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 136794094
N-[(E)-benzylideneamino]butanamide
CID 6872028
N-[(E)-(3,5-dimethylphenyl)methylideneamino]-4-[[4-[(2E)-2-[(3,5-dimethylphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;ethane
CID 143915628
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N'-[(E)-benzylideneamino]-N-butylhexanediamide
CID 171980947
N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 762054
N'-[(E)-benzylideneamino]-N-phenyloctanediamide
CID 23863272
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4-(4-methylanilino)butanamide?
The IUPAC name of N-(benzylideneamino)-4-(4-methylanilino)butanamide (CID 3551130) is N-(benzylideneamino)-4-(4-methylanilino)butanamide.
What is the SMILES notation for N-(benzylideneamino)-4-(4-methylanilino)butanamide?
The canonical SMILES for N-(benzylideneamino)-4-(4-methylanilino)butanamide is Cc1ccc(NCCCC(=O)NN=Cc2ccccc2)cc1.
What is the InChIKey of N-(benzylideneamino)-4-(4-methylanilino)butanamide?
The InChIKey is KGPNRRSRNLZSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-15-9-11-17(12-10-15)19-13-5-8-18(22)21-20-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,19H,5,8,13H2,1H3,(H,21,22).
What are the key properties of N-(benzylideneamino)-4-(4-methylanilino)butanamide?
N-(benzylideneamino)-4-(4-methylanilino)butanamide has a molecular weight of 295.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-(4-methylanilino)butanamide is sourced from PubChem (CID 3551130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).