4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide

C17H25N3O3 — CID 119338738

IUPAC4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide
SMILESCCCC(N)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1
InChIInChI=1S/C17H25N3O3/c1-2-3-15(18)17(22)20-13-6-4-12(5-7-13)16(21)19-14-8-10-23-11-9-14/h4-7,14-15H,2-3,8-11,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyDBRHCFQAHQXGAE-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.66
Rot. Bonds6

About 4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide

4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide (PubChem CID 119338738) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide
PubChem CID119338738
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide
SMILESCCCC(N)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1
InChIInChI=1S/C17H25N3O3/c1-2-3-15(18)17(22)20-13-6-4-12(5-7-13)16(21)19-14-8-10-23-11-9-14/h4-7,14-15H,2-3,8-11,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyDBRHCFQAHQXGAE-UHFFFAOYSA-N
XLogP1.66
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride
CID 119810201
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 120786530
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide
CID 119747199
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide
CID 119305974
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119276041
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide
CID 103928702
4-[(2-amino-3,3-dimethylbutanoyl)amino]-N-cyclopropylbenzamide
CID 76887468
4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide
CID 119303509

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide (CID 119338738) is 4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide is CCCC(N)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1.
What is the InChIKey of 4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide?
The InChIKey is DBRHCFQAHQXGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-3-15(18)17(22)20-13-6-4-12(5-7-13)16(21)19-14-8-10-23-11-9-14/h4-7,14-15H,2-3,8-11,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide?
4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide has a molecular weight of 319.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 119338738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).