3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide

C20H23N3O4 — CID 9489173

IUPAC3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCOc2cccc(C)c2)c1
InChIInChI=1S/C20H23N3O4/c1-13-5-4-6-19(9-13)27-8-7-21-20(26)16-10-17(22-14(2)24)12-18(11-16)23-15(3)25/h4-6,9-12H,7-8H2,1-3H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyHWXVTCWGYLBQKH-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.72
Rot. Bonds7

About 3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide

3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 9489173) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID9489173
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCOc2cccc(C)c2)c1
InChIInChI=1S/C20H23N3O4/c1-13-5-4-6-19(9-13)27-8-7-21-20(26)16-10-17(22-14(2)24)12-18(11-16)23-15(3)25/h4-6,9-12H,7-8H2,1-3H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyHWXVTCWGYLBQKH-UHFFFAOYSA-N
XLogP2.72
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.72
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-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569
4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 102851528
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62072454
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate
CID 24533397
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 9489173) is 3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCOc2cccc(C)c2)c1.
What is the InChIKey of 3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is HWXVTCWGYLBQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-5-4-6-19(9-13)27-8-7-21-20(26)16-10-17(22-14(2)24)12-18(11-16)23-15(3)25/h4-6,9-12H,7-8H2,1-3H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide?
3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 9489173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).