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

C14H26N2O2 — CID 71148531

IUPAC(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide
SMILESCCC[C@H](C(N)=O)C(CC1CCC1)C(=O)NCC
InChIInChI=1S/C14H26N2O2/c1-3-6-11(13(15)17)12(14(18)16-4-2)9-10-7-5-8-10/h10-12H,3-9H2,1-2H3,(H2,15,17)(H,16,18)/t11-,12?/m0/s1
InChIKeyPUYGBWHDUZHWCP-PXYINDEMSA-N
MW254.37 g/mol
LogP1.83
Rot. Bonds8

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

(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide (PubChem CID 71148531) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide.

Molecular Properties

Compound Name(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide
PubChem CID71148531
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide
SMILESCCC[C@H](C(N)=O)C(CC1CCC1)C(=O)NCC
InChIInChI=1S/C14H26N2O2/c1-3-6-11(13(15)17)12(14(18)16-4-2)9-10-7-5-8-10/h10-12H,3-9H2,1-2H3,(H2,15,17)(H,16,18)/t11-,12?/m0/s1
InChIKeyPUYGBWHDUZHWCP-PXYINDEMSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide
CID 71148603
(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide
CID 89313443
(2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide
CID 89068582
(2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide
CID 142005684
1-[3-cyclopentyl-1-(ethylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 71050663
N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide
CID 22972674
1-[3-cyclopropyl-1-(ethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 71050551
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
3-cyclobutyl-2-(cyclopentylmethoxy)-N-ethylpropanamide
CID 70911148
(2S)-2-amino-N-(2-cyclobutylethyl)pentanamide
CID 107570634
bis(2,2-dimethylpropyl) 2-(cyclohexylmethyl)-3-propylbutanedioate
CID 22241893
2,2-dicyclohexyl-N-ethylacetamide
CID 71067645

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide?
The IUPAC name of (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide (CID 71148531) is (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide.
What is the SMILES notation for (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide?
The canonical SMILES for (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide is CCC[C@H](C(N)=O)C(CC1CCC1)C(=O)NCC.
What is the InChIKey of (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide?
The InChIKey is PUYGBWHDUZHWCP-PXYINDEMSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-6-11(13(15)17)12(14(18)16-4-2)9-10-7-5-8-10/h10-12H,3-9H2,1-2H3,(H2,15,17)(H,16,18)/t11-,12?/m0/s1.
What are the key properties of (2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide?
(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide has a molecular weight of 254.37 g/mol, XLogP of 1.83, 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-propylbutanediamide is sourced from PubChem (CID 71148531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).