N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide

C12H16N2O2 — CID 135509646

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C12H16N2O2/c1-2-3-8-12(16)14-13-9-10-6-4-5-7-11(10)15/h4-7,9,15H,2-3,8H2,1H3,(H,14,16)/b13-9+
InChIKeyVXFLFMLEZVPKDP-UKTHLTGXSA-N
MW220.27 g/mol
LogP2.03
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide (PubChem CID 135509646) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
PubChem CID135509646
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C12H16N2O2/c1-2-3-8-12(16)14-13-9-10-6-4-5-7-11(10)15/h4-7,9,15H,2-3,8H2,1H3,(H,14,16)/b13-9+
InChIKeyVXFLFMLEZVPKDP-UKTHLTGXSA-N
XLogP2.03
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 136719377
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
N-[(2-methylphenyl)methylideneamino]undecanamide
CID 4136077
N-[(Z)-(2-hydroxyphenyl)methylideneamino]undec-10-enamide
CID 136802207
4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 136794094
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
1-hexadecyl-3-[(Z)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 136759286
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide (CID 135509646) is N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide is CCCCC(=O)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide?
The InChIKey is VXFLFMLEZVPKDP-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-3-8-12(16)14-13-9-10-6-4-5-7-11(10)15/h4-7,9,15H,2-3,8H2,1H3,(H,14,16)/b13-9+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide has a molecular weight of 220.27 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide is sourced from PubChem (CID 135509646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).