N-(2-benzamidoethyl)-4-(dimethylamino)benzamide

C18H21N3O2 — CID 38175898

IUPACN-(2-benzamidoethyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-21(2)16-10-8-15(9-11-16)18(23)20-13-12-19-17(22)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyNSGSEOXBRQHPGL-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.91
Rot. Bonds6

About N-(2-benzamidoethyl)-4-(dimethylamino)benzamide

N-(2-benzamidoethyl)-4-(dimethylamino)benzamide (PubChem CID 38175898) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-4-(dimethylamino)benzamide
PubChem CID38175898
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(2-benzamidoethyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-21(2)16-10-8-15(9-11-16)18(23)20-13-12-19-17(22)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyNSGSEOXBRQHPGL-UHFFFAOYSA-N
XLogP1.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.91
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

4-(dimethylamino)-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108540008
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide
CID 108543039
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24686106
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108542960
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-(dimethylamino)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 110473275
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(2-benzamidoethyl)-4-(dimethylamino)benzamide (CID 38175898) is N-(2-benzamidoethyl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(2-benzamidoethyl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzamidoethyl)-4-(dimethylamino)benzamide?
The InChIKey is NSGSEOXBRQHPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21(2)16-10-8-15(9-11-16)18(23)20-13-12-19-17(22)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-benzamidoethyl)-4-(dimethylamino)benzamide?
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide has a molecular weight of 311.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 38175898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).