N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide

C11H22N2O2 — CID 83033010

IUPACN-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(12-4)10(14)13-9-5-6-15-11(2,3)7-9/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyNTXCJZZMSYSGEM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.67
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide

N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide (PubChem CID 83033010) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide
PubChem CID83033010
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(12-4)10(14)13-9-5-6-15-11(2,3)7-9/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyNTXCJZZMSYSGEM-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide
CID 83033230
(2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide
CID 83033449
2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide
CID 83033094
2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 83032742
N-(2,2-dimethyloxan-4-yl)butanamide
CID 115563895
2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide
CID 107472621
4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid
CID 83032758
N-cyclopentyl-2-(methylamino)propanamide
CID 43083499
(2S)-N-cyclopentyl-2-(methylamino)propanamide
CID 28827015
(2S)-N-cyclobutyl-2-(methylamino)propanamide
CID 90052671
4-[(2,2-dimethyloxan-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 83029194
3-[(2,2-dimethyloxan-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 83028277

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide (CID 83033010) is N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide is CNC(C)C(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide?
The InChIKey is NTXCJZZMSYSGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(12-4)10(14)13-9-5-6-15-11(2,3)7-9/h8-9,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide?
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 83033010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).