2-amino-N-(2,2-diethyloxan-4-yl)butanediamide

C13H25N3O3 — CID 83028377

IUPAC2-amino-N-(2,2-diethyloxan-4-yl)butanediamide
SMILESCCC1(CC)CC(NC(=O)C(N)CC(N)=O)CCO1
InChIInChI=1S/C13H25N3O3/c1-3-13(4-2)8-9(5-6-19-13)16-12(18)10(14)7-11(15)17/h9-10H,3-8,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyNRSNQVKSPXZDCQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.04
Rot. Bonds6

About 2-amino-N-(2,2-diethyloxan-4-yl)butanediamide

2-amino-N-(2,2-diethyloxan-4-yl)butanediamide (PubChem CID 83028377) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-amino-N-(2,2-diethyloxan-4-yl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2,2-diethyloxan-4-yl)butanediamide
PubChem CID83028377
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-amino-N-(2,2-diethyloxan-4-yl)butanediamide
SMILESCCC1(CC)CC(NC(=O)C(N)CC(N)=O)CCO1
InChIInChI=1S/C13H25N3O3/c1-3-13(4-2)8-9(5-6-19-13)16-12(18)10(14)7-11(15)17/h9-10H,3-8,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyNRSNQVKSPXZDCQ-UHFFFAOYSA-N
XLogP0.04
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide
CID 83033094
(2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide
CID 104908950
2-amino-N-(2,2-diethyloxan-4-yl)-3,3-dimethylbutanamide
CID 112555896
(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide
CID 83029138
3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide
CID 83028921
3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide
CID 114145179
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide
CID 83029071
3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide
CID 83036657
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
1-amino-N-(2,2-diethyloxan-4-yl)cyclobutane-1-carboxamide
CID 83028998
1-(2,2-diethyloxan-4-yl)-3-propylurea
CID 115865557
N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide
CID 115865884

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-diethyloxan-4-yl)butanediamide?
The IUPAC name of 2-amino-N-(2,2-diethyloxan-4-yl)butanediamide (CID 83028377) is 2-amino-N-(2,2-diethyloxan-4-yl)butanediamide.
What is the SMILES notation for 2-amino-N-(2,2-diethyloxan-4-yl)butanediamide?
The canonical SMILES for 2-amino-N-(2,2-diethyloxan-4-yl)butanediamide is CCC1(CC)CC(NC(=O)C(N)CC(N)=O)CCO1.
What is the InChIKey of 2-amino-N-(2,2-diethyloxan-4-yl)butanediamide?
The InChIKey is NRSNQVKSPXZDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-13(4-2)8-9(5-6-19-13)16-12(18)10(14)7-11(15)17/h9-10H,3-8,14H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-(2,2-diethyloxan-4-yl)butanediamide?
2-amino-N-(2,2-diethyloxan-4-yl)butanediamide has a molecular weight of 271.36 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-diethyloxan-4-yl)butanediamide is sourced from PubChem (CID 83028377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).