N-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide

C15H30N2O3 — CID 125418020

IUPACN-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide
SMILESCCN(CC)C[C@@H]1OC[C@H](NC(=O)CC(C)(C)C)[C@H]1O
InChIInChI=1S/C15H30N2O3/c1-6-17(7-2)9-12-14(19)11(10-20-12)16-13(18)8-15(3,4)5/h11-12,14,19H,6-10H2,1-5H3,(H,16,18)/t11-,12-,14+/m0/s1
InChIKeyYESKRMIKCMUCFH-SGMGOOAPSA-N
MW286.42 g/mol
LogP1.01
Rot. Bonds6

About N-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide

N-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide (PubChem CID 125418020) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide
PubChem CID125418020
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide
SMILESCCN(CC)C[C@@H]1OC[C@H](NC(=O)CC(C)(C)C)[C@H]1O
InChIInChI=1S/C15H30N2O3/c1-6-17(7-2)9-12-14(19)11(10-20-12)16-13(18)8-15(3,4)5/h11-12,14,19H,6-10H2,1-5H3,(H,16,18)/t11-,12-,14+/m0/s1
InChIKeyYESKRMIKCMUCFH-SGMGOOAPSA-N
XLogP1.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide (CID 125418020) is N-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide is CCN(CC)C[C@@H]1OC[C@H](NC(=O)CC(C)(C)C)[C@H]1O.
What is the InChIKey of N-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide?
The InChIKey is YESKRMIKCMUCFH-SGMGOOAPSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-17(7-2)9-12-14(19)11(10-20-12)16-13(18)8-15(3,4)5/h11-12,14,19H,6-10H2,1-5H3,(H,16,18)/t11-,12-,14+/m0/s1.
What are the key properties of N-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide?
N-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide has a molecular weight of 286.42 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 125418020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).