3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide

C15H28N2O2 — CID 83028921

IUPAC3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide
SMILESCCC1(CC)CC(NC(=O)CC(N)C2CC2)CCO1
InChIInChI=1S/C15H28N2O2/c1-3-15(4-2)10-12(7-8-19-15)17-14(18)9-13(16)11-5-6-11/h11-13H,3-10,16H2,1-2H3,(H,17,18)
InChIKeyMHRBPAHUGQRIKF-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.97
Rot. Bonds6

About 3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide

3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide (PubChem CID 83028921) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide
PubChem CID83028921
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide
SMILESCCC1(CC)CC(NC(=O)CC(N)C2CC2)CCO1
InChIInChI=1S/C15H28N2O2/c1-3-15(4-2)10-12(7-8-19-15)17-14(18)9-13(16)11-5-6-11/h11-13H,3-10,16H2,1-2H3,(H,17,18)
InChIKeyMHRBPAHUGQRIKF-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,2-diethyloxan-4-yl)butanediamide
CID 83028377
3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide
CID 83036657
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-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide
CID 114145179
(2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide
CID 104908950
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
N-cyclopropyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032670
N-carbamoyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032833
1-amino-N-(2,2-diethyloxan-4-yl)cyclobutane-1-carboxamide
CID 83028998
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide
CID 83029071
1-(2,2-diethyloxan-4-yl)-3-propylurea
CID 115865557

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide?
The IUPAC name of 3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide (CID 83028921) is 3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide.
What is the SMILES notation for 3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide?
The canonical SMILES for 3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide is CCC1(CC)CC(NC(=O)CC(N)C2CC2)CCO1.
What is the InChIKey of 3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide?
The InChIKey is MHRBPAHUGQRIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-15(4-2)10-12(7-8-19-15)17-14(18)9-13(16)11-5-6-11/h11-13H,3-10,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide?
3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide has a molecular weight of 268.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide is sourced from PubChem (CID 83028921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).