N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide

C22H28N2O3 — CID 17311962

IUPACN-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-3-27-15-9-14-23-22(26)19-12-7-8-13-20(19)24-21(25)16-17(2)18-10-5-4-6-11-18/h4-8,10-13,17H,3,9,14-16H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPFJHANHYEATUKO-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.98
Rot. Bonds10

About N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide

N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide (PubChem CID 17311962) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide
PubChem CID17311962
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-3-27-15-9-14-23-22(26)19-12-7-8-13-20(19)24-21(25)16-17(2)18-10-5-4-6-11-18/h4-8,10-13,17H,3,9,14-16H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPFJHANHYEATUKO-UHFFFAOYSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide
CID 120604234
N-(3-ethoxypropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 17311898
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312166
N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide
CID 120603471
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 17311661
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide
CID 17312154
2-benzamido-N-(3-butoxypropyl)benzamide
CID 30748297
2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide
CID 168639161

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide (CID 17311962) is N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide is CCOCCCNC(=O)c1ccccc1NC(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide?
The InChIKey is PFJHANHYEATUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-27-15-9-14-23-22(26)19-12-7-8-13-20(19)24-21(25)16-17(2)18-10-5-4-6-11-18/h4-8,10-13,17H,3,9,14-16H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide?
N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide is sourced from PubChem (CID 17311962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).