(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide

C14H24N2O2 — CID 89313443

IUPAC(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide
SMILESC=CC[C@H](C(N)=O)C(CC1CCC1)C(=O)NCC
InChIInChI=1S/C14H24N2O2/c1-3-6-11(13(15)17)12(14(18)16-4-2)9-10-7-5-8-10/h3,10-12H,1,4-9H2,2H3,(H2,15,17)(H,16,18)/t11-,12?/m0/s1
InChIKeyQGVDAAYOCNUOCC-PXYINDEMSA-N
MW252.36 g/mol
LogP1.61
Rot. Bonds8

About (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide

(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide (PubChem CID 89313443) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide.

Molecular Properties

Compound Name(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide
PubChem CID89313443
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide
SMILESC=CC[C@H](C(N)=O)C(CC1CCC1)C(=O)NCC
InChIInChI=1S/C14H24N2O2/c1-3-6-11(13(15)17)12(14(18)16-4-2)9-10-7-5-8-10/h3,10-12H,1,4-9H2,2H3,(H2,15,17)(H,16,18)/t11-,12?/m0/s1
InChIKeyQGVDAAYOCNUOCC-PXYINDEMSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide?
The IUPAC name of (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide (CID 89313443) is (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide.
What is the SMILES notation for (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide?
The canonical SMILES for (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide is C=CC[C@H](C(N)=O)C(CC1CCC1)C(=O)NCC.
What is the InChIKey of (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide?
The InChIKey is QGVDAAYOCNUOCC-PXYINDEMSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-6-11(13(15)17)12(14(18)16-4-2)9-10-7-5-8-10/h3,10-12H,1,4-9H2,2H3,(H2,15,17)(H,16,18)/t11-,12?/m0/s1.
What are the key properties of (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide?
(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide has a molecular weight of 252.36 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide is sourced from PubChem (CID 89313443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).