4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide

C17H35N3O — CID 104691662

IUPAC4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)N1CCCCCC1CC)C(N)=O
InChIInChI=1S/C17H35N3O/c1-5-11-19-17(4,16(18)21)13-14(3)20-12-9-7-8-10-15(20)6-2/h14-15,19H,5-13H2,1-4H3,(H2,18,21)
InChIKeyYEEDOWZVSJMCCC-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.66
Rot. Bonds8

About 4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide

4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide (PubChem CID 104691662) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide.

Molecular Properties

Compound Name4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide
PubChem CID104691662
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)N1CCCCCC1CC)C(N)=O
InChIInChI=1S/C17H35N3O/c1-5-11-19-17(4,16(18)21)13-14(3)20-12-9-7-8-10-15(20)6-2/h14-15,19H,5-13H2,1-4H3,(H2,18,21)
InChIKeyYEEDOWZVSJMCCC-UHFFFAOYSA-N
XLogP2.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 64727643
4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 64726316
2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid
CID 104691548
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide
CID 102886110
3-(2-ethylpiperidin-1-yl)butanehydrazide
CID 63573262
N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine
CID 104692382
1-amino-4-(2-ethylpiperidin-1-yl)-2-methylpentan-2-ol
CID 64820664
ethyl 3-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)propanoate
CID 104691578
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 82752804
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 102727993
2-(2-ethylazepan-1-yl)butanamide
CID 104691437

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide?
The IUPAC name of 4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide (CID 104691662) is 4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide.
What is the SMILES notation for 4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide?
The canonical SMILES for 4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide is CCCNC(C)(CC(C)N1CCCCCC1CC)C(N)=O.
What is the InChIKey of 4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide?
The InChIKey is YEEDOWZVSJMCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-11-19-17(4,16(18)21)13-14(3)20-12-9-7-8-10-15(20)6-2/h14-15,19H,5-13H2,1-4H3,(H2,18,21).
What are the key properties of 4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide?
4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide has a molecular weight of 297.49 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide is sourced from PubChem (CID 104691662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).