N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide

C15H23N3O3 — CID 136988218

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide
SMILESCCCOCCN(C)CC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C15H23N3O3/c1-3-9-21-10-8-18(2)12-15(20)17-16-11-13-6-4-5-7-14(13)19/h4-7,11,19H,3,8-10,12H2,1-2H3,(H,17,20)/b16-11+
InChIKeyJMDFATRONGDHBA-LFIBNONCSA-N
MW293.37 g/mol
LogP1.20
Rot. Bonds9

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide (PubChem CID 136988218) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide
PubChem CID136988218
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide
SMILESCCCOCCN(C)CC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C15H23N3O3/c1-3-9-21-10-8-18(2)12-15(20)17-16-11-13-6-4-5-7-14(13)19/h4-7,11,19H,3,8-10,12H2,1-2H3,(H,17,20)/b16-11+
InChIKeyJMDFATRONGDHBA-LFIBNONCSA-N
XLogP1.20
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide
CID 135747209
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 136719377
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
ethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamate
CID 135478857
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137077858
(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide
CID 136728520

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide (CID 136988218) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide is CCCOCCN(C)CC(=O)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide?
The InChIKey is JMDFATRONGDHBA-LFIBNONCSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-9-21-10-8-18(2)12-15(20)17-16-11-13-6-4-5-7-14(13)19/h4-7,11,19H,3,8-10,12H2,1-2H3,(H,17,20)/b16-11+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[methyl(2-propoxyethyl)amino]acetamide is sourced from PubChem (CID 136988218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).