N-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide

C23H39N3O2 — CID 152769439

IUPACN-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide
SMILESCCCCC(=O)Nc1cc(C(=O)N(CC)CCN(CC)CC)ccc1CCC
InChIInChI=1S/C23H39N3O2/c1-6-11-13-22(27)24-21-18-20(15-14-19(21)12-7-2)23(28)26(10-5)17-16-25(8-3)9-4/h14-15,18H,6-13,16-17H2,1-5H3,(H,24,27)
InChIKeyBOJTWPPCJDZCDM-UHFFFAOYSA-N
MW389.58 g/mol
LogP4.57
Rot. Bonds13

About N-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide

N-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide (PubChem CID 152769439) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide
PubChem CID152769439
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC NameN-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide
SMILESCCCCC(=O)Nc1cc(C(=O)N(CC)CCN(CC)CC)ccc1CCC
InChIInChI=1S/C23H39N3O2/c1-6-11-13-22(27)24-21-18-20(15-14-19(21)12-7-2)23(28)26(10-5)17-16-25(8-3)9-4/h14-15,18H,6-13,16-17H2,1-5H3,(H,24,27)
InChIKeyBOJTWPPCJDZCDM-UHFFFAOYSA-N
XLogP4.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(diethylamino)ethoxy]phenyl]pentanamide
CID 71898997
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
N-[2-ethyl-5-(3-methylsulfanylpropylcarbamothioyl)phenyl]octadecanamide
CID 57113580
methyl 4-methyl-3-(pentanoylamino)benzoate
CID 8920189
N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]pentanamide
CID 39185216
N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide
CID 71213941
4-butyl-N,N-diethylbenzamide
CID 60675001
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide
CID 118881902
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide
CID 21275378
methyl 3,4-bis(tetradecanoylamino)benzoate
CID 154194346

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide (CID 152769439) is N-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide is CCCCC(=O)Nc1cc(C(=O)N(CC)CCN(CC)CC)ccc1CCC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide?
The InChIKey is BOJTWPPCJDZCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O2/c1-6-11-13-22(27)24-21-18-20(15-14-19(21)12-7-2)23(28)26(10-5)17-16-25(8-3)9-4/h14-15,18H,6-13,16-17H2,1-5H3,(H,24,27).
What are the key properties of N-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide?
N-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide has a molecular weight of 389.58 g/mol, XLogP of 4.57, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-ethyl-3-(pentanoylamino)-4-propylbenzamide is sourced from PubChem (CID 152769439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).