2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide

C22H28N2O5 — CID 17311661

IUPAC2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H28N2O5/c1-4-29-13-7-12-23-22(26)17-8-5-6-9-18(17)24-21(25)15-16-10-11-19(27-2)20(14-16)28-3/h5-6,8-11,14H,4,7,12-13,15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyNKLUITWXSUPCGC-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.04
Rot. Bonds11

About 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide

2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide (PubChem CID 17311661) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
PubChem CID17311661
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H28N2O5/c1-4-29-13-7-12-23-22(26)17-8-5-6-9-18(17)24-21(25)15-16-10-11-19(27-2)20(14-16)28-3/h5-6,8-11,14H,4,7,12-13,15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyNKLUITWXSUPCGC-UHFFFAOYSA-N
XLogP3.04
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 30393729
N-(3-ethoxypropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 17311898
N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226286
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide
CID 17311962
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride
CID 120604529
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 112998555
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide (CID 17311661) is 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
The InChIKey is NKLUITWXSUPCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-4-29-13-7-12-23-22(26)17-8-5-6-9-18(17)24-21(25)15-16-10-11-19(27-2)20(14-16)28-3/h5-6,8-11,14H,4,7,12-13,15H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide has a molecular weight of 400.48 g/mol, XLogP of 3.04, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 17311661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).