(2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide

C15H26N2O2 — CID 71148603

IUPAC(2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide
SMILESCCNC(=O)[C@H](CC1CC1)C(CCC1CC1)C(N)=O
InChIInChI=1S/C15H26N2O2/c1-2-17-15(19)13(9-11-5-6-11)12(14(16)18)8-7-10-3-4-10/h10-13H,2-9H2,1H3,(H2,16,18)(H,17,19)/t12?,13-/m1/s1
InChIKeyJTFHKVXOCSBVEY-ZGTCLIOFSA-N
MW266.38 g/mol
LogP1.83
Rot. Bonds9

About (2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide

(2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide (PubChem CID 71148603) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide.

Molecular Properties

Compound Name(2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide
PubChem CID71148603
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide
SMILESCCNC(=O)[C@H](CC1CC1)C(CCC1CC1)C(N)=O
InChIInChI=1S/C15H26N2O2/c1-2-17-15(19)13(9-11-5-6-11)12(14(16)18)8-7-10-3-4-10/h10-13H,2-9H2,1H3,(H2,16,18)(H,17,19)/t12?,13-/m1/s1
InChIKeyJTFHKVXOCSBVEY-ZGTCLIOFSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide
CID 71148531
(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide
CID 89313443
(2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide
CID 89068582
N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide
CID 22972674
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide
CID 22972628
1-[3-cyclopropyl-1-(ethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 71050551
N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide
CID 22972626
(2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide
CID 142005684
2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide
CID 89093747
1-[3-cyclopentyl-1-(ethylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 71050663
2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide
CID 70910476

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide?
The IUPAC name of (2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide (CID 71148603) is (2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide.
What is the SMILES notation for (2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide?
The canonical SMILES for (2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide is CCNC(=O)[C@H](CC1CC1)C(CCC1CC1)C(N)=O.
What is the InChIKey of (2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide?
The InChIKey is JTFHKVXOCSBVEY-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-17-15(19)13(9-11-5-6-11)12(14(16)18)8-7-10-3-4-10/h10-13H,2-9H2,1H3,(H2,16,18)(H,17,19)/t12?,13-/m1/s1.
What are the key properties of (2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide?
(2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide has a molecular weight of 266.38 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide is sourced from PubChem (CID 71148603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).