N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide

C21H27N3O2 — CID 50955133

IUPACN-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide
SMILESCCN(CC)CCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-24(5-2)15-14-20(25)22-18-10-12-19(13-11-18)23-21(26)17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyHCOWZKZYFPHBMX-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.92
Rot. Bonds8

About N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide

N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide (PubChem CID 50955133) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide
PubChem CID50955133
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide
SMILESCCN(CC)CCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-24(5-2)15-14-20(25)22-18-10-12-19(13-11-18)23-21(26)17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyHCOWZKZYFPHBMX-UHFFFAOYSA-N
XLogP3.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N-(4-chlorophenyl)-3-(diethylamino)propanamide
CID 109030730
N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide
CID 108789964
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide
CID 24588858
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide (CID 50955133) is N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide is CCN(CC)CCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide?
The InChIKey is HCOWZKZYFPHBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-24(5-2)15-14-20(25)22-18-10-12-19(13-11-18)23-21(26)17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide?
N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide is sourced from PubChem (CID 50955133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).