N-(hexan-2-ylideneamino)-3-methylbenzamide

C14H20N2O — CID 5109597

IUPACN-(hexan-2-ylideneamino)-3-methylbenzamide
SMILESCCCCC(C)=NNC(=O)c1cccc(C)c1
InChIInChI=1S/C14H20N2O/c1-4-5-8-12(3)15-16-14(17)13-9-6-7-11(2)10-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyYQCPPPVAKAWFKB-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.29
Rot. Bonds5

About N-(hexan-2-ylideneamino)-3-methylbenzamide

N-(hexan-2-ylideneamino)-3-methylbenzamide (PubChem CID 5109597) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(hexan-2-ylideneamino)-3-methylbenzamide.

Molecular Properties

Compound NameN-(hexan-2-ylideneamino)-3-methylbenzamide
PubChem CID5109597
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(hexan-2-ylideneamino)-3-methylbenzamide
SMILESCCCCC(C)=NNC(=O)c1cccc(C)c1
InChIInChI=1S/C14H20N2O/c1-4-5-8-12(3)15-16-14(17)13-9-6-7-11(2)10-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyYQCPPPVAKAWFKB-UHFFFAOYSA-N
XLogP3.29
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
CID 19685456
3-bromo-N-(hexan-2-ylideneamino)-4-methylbenzamide
CID 3260690
3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide
CID 151685716
3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide
CID 3326267
3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 4218759
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
CID 6134713
ethyl (3Z)-2-ethyl-3-[(3-methylbenzoyl)hydrazinylidene]butanoate
CID 6054754
ethyl (2S)-2-ethyl-3-[(3-methylbenzoyl)hydrazinylidene]butanoate
CID 7104050
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide
CID 54784798
3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91169409
5,9-bis(3-methylphenyl)trideca-5,8-dien-7-one
CID 139998292

Frequently Asked Questions

What is the IUPAC name of N-(hexan-2-ylideneamino)-3-methylbenzamide?
The IUPAC name of N-(hexan-2-ylideneamino)-3-methylbenzamide (CID 5109597) is N-(hexan-2-ylideneamino)-3-methylbenzamide.
What is the SMILES notation for N-(hexan-2-ylideneamino)-3-methylbenzamide?
The canonical SMILES for N-(hexan-2-ylideneamino)-3-methylbenzamide is CCCCC(C)=NNC(=O)c1cccc(C)c1.
What is the InChIKey of N-(hexan-2-ylideneamino)-3-methylbenzamide?
The InChIKey is YQCPPPVAKAWFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-5-8-12(3)15-16-14(17)13-9-6-7-11(2)10-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of N-(hexan-2-ylideneamino)-3-methylbenzamide?
N-(hexan-2-ylideneamino)-3-methylbenzamide has a molecular weight of 232.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hexan-2-ylideneamino)-3-methylbenzamide is sourced from PubChem (CID 5109597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).