4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide

C15H23N3O2 — CID 120563222

IUPAC4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide
SMILESCc1cc(NC(=O)CCC(C)N)ccc1C(=O)N(C)C
InChIInChI=1S/C15H23N3O2/c1-10-9-12(17-14(19)8-5-11(2)16)6-7-13(10)15(20)18(3)4/h6-7,9,11H,5,8,16H2,1-4H3,(H,17,19)
InChIKeyBQVQMOIRNKFELX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.76
Rot. Bonds5

About 4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide

4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide (PubChem CID 120563222) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide
PubChem CID120563222
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide
SMILESCc1cc(NC(=O)CCC(C)N)ccc1C(=O)N(C)C
InChIInChI=1S/C15H23N3O2/c1-10-9-12(17-14(19)8-5-11(2)16)6-7-13(10)15(20)18(3)4/h6-7,9,11H,5,8,16H2,1-4H3,(H,17,19)
InChIKeyBQVQMOIRNKFELX-UHFFFAOYSA-N
XLogP1.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide
CID 119332645
4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide
CID 119332625
4-acetamido-N,N,2-trimethylbenzamide
CID 21338871
4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride
CID 120611177
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
5-[4-(dimethylcarbamoyl)-3-methylanilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119137875
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
4-(4-hydroxypentanoylamino)-N,N-dimethylbenzamide
CID 79191364
4-(4-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208189
N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide
CID 119047666
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;hydrochloride
CID 120558603
4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119332635

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide?
The IUPAC name of 4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide (CID 120563222) is 4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide.
What is the SMILES notation for 4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide?
The canonical SMILES for 4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide is Cc1cc(NC(=O)CCC(C)N)ccc1C(=O)N(C)C.
What is the InChIKey of 4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide?
The InChIKey is BQVQMOIRNKFELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-9-12(17-14(19)8-5-11(2)16)6-7-13(10)15(20)18(3)4/h6-7,9,11H,5,8,16H2,1-4H3,(H,17,19).
What are the key properties of 4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide?
4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide is sourced from PubChem (CID 120563222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).