N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide

C21H26N2O4 — CID 87005156

IUPACN-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)COc2cccc(C)c2)c1
InChIInChI=1S/C21H26N2O4/c1-3-26-12-6-11-22-21(25)17-8-5-9-18(14-17)23-20(24)15-27-19-10-4-7-16(2)13-19/h4-5,7-10,13-14H,3,6,11-12,15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyAAMWYHVVSZBVRG-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.17
Rot. Bonds10

About N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide

N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide (PubChem CID 87005156) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
PubChem CID87005156
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)COc2cccc(C)c2)c1
InChIInChI=1S/C21H26N2O4/c1-3-26-12-6-11-22-21(25)17-8-5-9-18(14-17)23-20(24)15-27-19-10-4-7-16(2)13-19/h4-5,7-10,13-14H,3,6,11-12,15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyAAMWYHVVSZBVRG-UHFFFAOYSA-N
XLogP3.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 26160097
3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55801610
N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17196871
N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 26160095
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55802015
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160030
N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834312
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383
N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide
CID 17196875
tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate
CID 24533397
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide (CID 87005156) is N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide is CCOCCCNC(=O)c1cccc(NC(=O)COc2cccc(C)c2)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide?
The InChIKey is AAMWYHVVSZBVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-26-12-6-11-22-21(25)17-8-5-9-18(14-17)23-20(24)15-27-19-10-4-7-16(2)13-19/h4-5,7-10,13-14H,3,6,11-12,15H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide?
N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 87005156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).