N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide

C21H27N3O2 — CID 54815120

IUPACN,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNCCc2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-3-24(4-2)21(26)18-11-8-12-19(15-18)23-20(25)16-22-14-13-17-9-6-5-7-10-17/h5-12,15,22H,3-4,13-14,16H2,1-2H3,(H,23,25)
InChIKeyIUROCZXCRRKACN-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.94
Rot. Bonds9

About N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide

N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide (PubChem CID 54815120) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide
PubChem CID54815120
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNCCc2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-3-24(4-2)21(26)18-11-8-12-19(15-18)23-20(25)16-22-14-13-17-9-6-5-7-10-17/h5-12,15,22H,3-4,13-14,16H2,1-2H3,(H,23,25)
InChIKeyIUROCZXCRRKACN-UHFFFAOYSA-N
XLogP2.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.94
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,N-diethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78913226
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26712597
N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide
CID 111122030
3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820598
N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024328
N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815122
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide (CID 54815120) is N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)CNCCc2ccccc2)c1.
What is the InChIKey of N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide?
The InChIKey is IUROCZXCRRKACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-24(4-2)21(26)18-11-8-12-19(15-18)23-20(25)16-22-14-13-17-9-6-5-7-10-17/h5-12,15,22H,3-4,13-14,16H2,1-2H3,(H,23,25).
What are the key properties of N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide?
N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54815120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).