N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane

C17H36N2O2 — CID 143105338

IUPACN-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane
SMILESCC.CNC(CN(C)C(=O)CC(C)(C)CC=O)C(C)(C)C
InChIInChI=1S/C15H30N2O2.C2H6/c1-14(2,3)12(16-6)11-17(7)13(19)10-15(4,5)8-9-18;1-2/h9,12,16H,8,10-11H2,1-7H3;1-2H3
InChIKeyYDILGMCSFOWJSF-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.11
Rot. Bonds7

About N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane

N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane (PubChem CID 143105338) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane.

Molecular Properties

Compound NameN-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane
PubChem CID143105338
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC NameN-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane
SMILESCC.CNC(CN(C)C(=O)CC(C)(C)CC=O)C(C)(C)C
InChIInChI=1S/C15H30N2O2.C2H6/c1-14(2,3)12(16-6)11-17(7)13(19)10-15(4,5)8-9-18;1-2/h9,12,16H,8,10-11H2,1-7H3;1-2H3
InChIKeyYDILGMCSFOWJSF-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane with MolForge

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Related Compounds

Ac-Val-Leu-Gln(Me2)-al
CID 44590102
Ac-Ala-Val-Leu-Gln(Me2)-al
CID 44590103
H-Ile-Ile-Leu-al
CID 165618827
H-Ile-Gln-Gln-Leu-al
CID 139212528
H-aIle-N(Me)Val-Leu-al
CID 54488512
Me-Leu-D-N(Me)Leu-D-Leu-al
CID 57202062
1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-4,4-dimethylpiperidine-2,6-dione
CID 59677663
1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-4,4-dimethylpiperidin-2-one
CID 59750015
N-[(2S)-1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]formamide
CID 88246927
N-[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]formamide
CID 88936918
(2R)-2-amino-N-[(2S)-4,4-dimethyl-1-oxopentan-2-yl]-4,4-dimethylpentanamide
CID 91070835
(2R,3R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-3-methyl-N-(5-oxopentyl)pentanamide
CID 117951168

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane?
The IUPAC name of N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane (CID 143105338) is N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane.
What is the SMILES notation for N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane?
The canonical SMILES for N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane is CC.CNC(CN(C)C(=O)CC(C)(C)CC=O)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane?
The InChIKey is YDILGMCSFOWJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.C2H6/c1-14(2,3)12(16-6)11-17(7)13(19)10-15(4,5)8-9-18;1-2/h9,12,16H,8,10-11H2,1-7H3;1-2H3.
What are the key properties of N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane?
N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane has a molecular weight of 300.49 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane is sourced from PubChem (CID 143105338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).