3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide

C15H29N3O2 — CID 108960243

IUPAC3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide
SMILESCN(C)CCNC(=O)C(C)(C)C(=O)N1CCCCCC1
InChIInChI=1S/C15H29N3O2/c1-15(2,13(19)16-9-12-17(3)4)14(20)18-10-7-5-6-8-11-18/h5-12H2,1-4H3,(H,16,19)
InChIKeyHQALIOMANNNDNA-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.09
Rot. Bonds5

About 3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide

3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide (PubChem CID 108960243) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide
PubChem CID108960243
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide
SMILESCN(C)CCNC(=O)C(C)(C)C(=O)N1CCCCCC1
InChIInChI=1S/C15H29N3O2/c1-15(2,13(19)16-9-12-17(3)4)14(20)18-10-7-5-6-8-11-18/h5-12H2,1-4H3,(H,16,19)
InChIKeyHQALIOMANNNDNA-UHFFFAOYSA-N
XLogP1.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108958733
N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960232
3-(azepan-1-yl)-2,2-dimethyl-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108960062
N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958414
N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958153
N-[2-(dimethylamino)ethyl]-2-(hydroxyamino)-2-methylpropanamide
CID 118563431
3-(azepan-1-yl)-2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108961716
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108960333
3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013258
3-(4-acetylpiperazin-1-yl)-2,2-dimethyl-N-(3-methylbutyl)-3-oxopropanamide
CID 108961221
N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958739
3-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-oxopropanamide
CID 108962428

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide?
The IUPAC name of 3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide (CID 108960243) is 3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide.
What is the SMILES notation for 3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide?
The canonical SMILES for 3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide is CN(C)CCNC(=O)C(C)(C)C(=O)N1CCCCCC1.
What is the InChIKey of 3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide?
The InChIKey is HQALIOMANNNDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,13(19)16-9-12-17(3)4)14(20)18-10-7-5-6-8-11-18/h5-12H2,1-4H3,(H,16,19).
What are the key properties of 3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide?
3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide has a molecular weight of 283.42 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide is sourced from PubChem (CID 108960243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).