N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide

C17H26N2O3 — CID 75367085

IUPACN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESCC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)c2ccccc2)[C@H]1O
InChIInChI=1S/C17H26N2O3/c1-17(2,3)11-19-13-10-22-14(15(13)20)9-18-16(21)12-7-5-4-6-8-12/h4-8,13-15,19-20H,9-11H2,1-3H3,(H,18,21)/t13-,14-,15+/m1/s1
InChIKeyBVJSEOCMEKRDKK-KFWWJZLASA-N
MW306.41 g/mol
LogP1.18
Rot. Bonds5

About N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide

N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide (PubChem CID 75367085) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
PubChem CID75367085
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESCC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)c2ccccc2)[C@H]1O
InChIInChI=1S/C17H26N2O3/c1-17(2,3)11-19-13-10-22-14(15(13)20)9-18-16(21)12-7-5-4-6-8-12/h4-8,13-15,19-20H,9-11H2,1-3H3,(H,18,21)/t13-,14-,15+/m1/s1
InChIKeyBVJSEOCMEKRDKK-KFWWJZLASA-N
XLogP1.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide (CID 75367085) is N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide is CC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)c2ccccc2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
The InChIKey is BVJSEOCMEKRDKK-KFWWJZLASA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)11-19-13-10-22-14(15(13)20)9-18-16(21)12-7-5-4-6-8-12/h4-8,13-15,19-20H,9-11H2,1-3H3,(H,18,21)/t13-,14-,15+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide has a molecular weight of 306.41 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 75367085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).