(2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide

C13H23IN2O2 — CID 142005684

IUPAC(2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide
SMILESCCCC[C@H](C(N)=O)C(CC1CCC1)C(=O)NI
InChIInChI=1S/C13H23IN2O2/c1-2-3-7-10(12(15)17)11(13(18)16-14)8-9-5-4-6-9/h9-11H,2-8H2,1H3,(H2,15,17)(H,16,18)/t10-,11?/m0/s1
InChIKeyJSRKDLRPBHDCJK-VUWPPUDQSA-N
MW366.24 g/mol
LogP2.55
Rot. Bonds8

About (2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide

(2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide (PubChem CID 142005684) has the molecular formula C13H23IN2O2 and a molecular weight of 366.24 g/mol. Its IUPAC name is (2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide.

Molecular Properties

Compound Name(2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide
PubChem CID142005684
Molecular FormulaC13H23IN2O2
Molecular Weight366.24 g/mol
Exact Mass366.08
IUPAC Name(2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide
SMILESCCCC[C@H](C(N)=O)C(CC1CCC1)C(=O)NI
InChIInChI=1S/C13H23IN2O2/c1-2-3-7-10(12(15)17)11(13(18)16-14)8-9-5-4-6-9/h9-11H,2-8H2,1H3,(H2,15,17)(H,16,18)/t10-,11?/m0/s1
InChIKeyJSRKDLRPBHDCJK-VUWPPUDQSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide
CID 22972674
(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide
CID 71148531
2-(cyclobutylmethyl)-N-methylhexanamide
CID 89102892
(2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide
CID 71148603
(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide
CID 89313443
2-(cyclopentylmethyl)-N-methylhexanamide
CID 70921101
(2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide
CID 89068582
(2S,3R)-N'-[(3S)-1-(3-benzoylphenyl)-2-oxoazepan-3-yl]-2-butyl-3-(cyclopentylmethyl)butanediamide
CID 69092366
(2S,3R)-2-butyl-3-(cyclobutylmethyl)-N'-[(3S)-1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxoazepan-3-yl]butanediamide
CID 69059192
N-carbamoyl-2-propan-2-ylhexanamide
CID 175202627
3-formyl-2-pentyloctanamide
CID 174696603
(2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide
CID 154531690

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide?
The IUPAC name of (2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide (CID 142005684) is (2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide.
What is the SMILES notation for (2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide?
The canonical SMILES for (2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide is CCCC[C@H](C(N)=O)C(CC1CCC1)C(=O)NI.
What is the InChIKey of (2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide?
The InChIKey is JSRKDLRPBHDCJK-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H23IN2O2/c1-2-3-7-10(12(15)17)11(13(18)16-14)8-9-5-4-6-9/h9-11H,2-8H2,1H3,(H2,15,17)(H,16,18)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide?
(2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide has a molecular weight of 366.24 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide is sourced from PubChem (CID 142005684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).