4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide

C14H20N2O4 — CID 103956667

IUPAC4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide
SMILESCOCCNC(=O)CCNC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C14H20N2O4/c1-10-9-11(3-4-12(10)17)14(19)16-6-5-13(18)15-7-8-20-2/h3-4,9,17H,5-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyCVGSIKNSOSCYGE-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.58
Rot. Bonds7

About 4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide

4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide (PubChem CID 103956667) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide
PubChem CID103956667
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide
SMILESCOCCNC(=O)CCNC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C14H20N2O4/c1-10-9-11(3-4-12(10)17)14(19)16-6-5-13(18)15-7-8-20-2/h3-4,9,17H,5-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyCVGSIKNSOSCYGE-UHFFFAOYSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103956666
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496
N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 51092478
5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705898
4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide
CID 112689546
3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide
CID 177473805
4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide
CID 103956091
N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
CID 108574738
4-hydroxy-3-methyl-N-pent-3-ynylbenzamide
CID 104581098
tert-butyl N-[3-[3-[(3,4-dimethylbenzoyl)amino]propylamino]-3-oxopropyl]carbamate
CID 108921652
4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
CID 4062495
4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of 4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide (CID 103956667) is 4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide is COCCNC(=O)CCNC(=O)c1ccc(O)c(C)c1.
What is the InChIKey of 4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide?
The InChIKey is CVGSIKNSOSCYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-9-11(3-4-12(10)17)14(19)16-6-5-13(18)15-7-8-20-2/h3-4,9,17H,5-8H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide?
4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide has a molecular weight of 280.32 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 103956667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).