4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide

C16H25N3O2 — CID 82849341

IUPAC4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide
SMILESCC(N)CCCC(=O)Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-11(2)18-16(21)13-7-9-14(10-8-13)19-15(20)6-4-5-12(3)17/h7-12H,4-6,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyXNGWLGWCPCZSDF-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.28
Rot. Bonds7

About 4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide

4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide (PubChem CID 82849341) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide
PubChem CID82849341
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide
SMILESCC(N)CCCC(=O)Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-11(2)18-16(21)13-7-9-14(10-8-13)19-15(20)6-4-5-12(3)17/h7-12H,4-6,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyXNGWLGWCPCZSDF-UHFFFAOYSA-N
XLogP2.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-5-aminohexanamide
CID 82852023
4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide
CID 79199156
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119298478
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide
CID 62835672
5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 82848288
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
CID 17201350

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide (CID 82849341) is 4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide is CC(N)CCCC(=O)Nc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide?
The InChIKey is XNGWLGWCPCZSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)18-16(21)13-7-9-14(10-8-13)19-15(20)6-4-5-12(3)17/h7-12H,4-6,17H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide?
4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide has a molecular weight of 291.39 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 82849341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).