5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide

C19H36N2O3 — CID 25246793

IUPAC5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide
SMILESCC(C)OCCCNC(=O)CC(C)(C)CC(=O)N1CCCCCC1
InChIInChI=1S/C19H36N2O3/c1-16(2)24-13-9-10-20-17(22)14-19(3,4)15-18(23)21-11-7-5-6-8-12-21/h16H,5-15H2,1-4H3,(H,20,22)
InChIKeyJBYCLIQXDHBVPV-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.13
Rot. Bonds9

About 5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide

5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide (PubChem CID 25246793) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is 5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide
PubChem CID25246793
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Name5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide
SMILESCC(C)OCCCNC(=O)CC(C)(C)CC(=O)N1CCCCCC1
InChIInChI=1S/C19H36N2O3/c1-16(2)24-13-9-10-20-17(22)14-19(3,4)15-18(23)21-11-7-5-6-8-12-21/h16H,5-15H2,1-4H3,(H,20,22)
InChIKeyJBYCLIQXDHBVPV-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412
tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
CID 3493104
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 46295214
3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 62933528
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 63256081
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide
CID 4795071
3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide
CID 86811915
N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide
CID 112722354
1-(1-aminocyclohexanecarbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119287849
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
2-(dimethylamino)-N-(3-propan-2-yloxypropyl)acetamide
CID 156560781

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide?
The IUPAC name of 5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide (CID 25246793) is 5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide.
What is the SMILES notation for 5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide?
The canonical SMILES for 5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide is CC(C)OCCCNC(=O)CC(C)(C)CC(=O)N1CCCCCC1.
What is the InChIKey of 5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide?
The InChIKey is JBYCLIQXDHBVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-16(2)24-13-9-10-20-17(22)14-19(3,4)15-18(23)21-11-7-5-6-8-12-21/h16H,5-15H2,1-4H3,(H,20,22).
What are the key properties of 5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide?
5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide has a molecular weight of 340.51 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide is sourced from PubChem (CID 25246793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).