(2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide

C13H24N2O2 — CID 154531690

IUPAC(2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide
SMILESC=C(C)CC(C(=O)NC)[C@H](CCCC)C(N)=O
InChIInChI=1S/C13H24N2O2/c1-5-6-7-10(12(14)16)11(8-9(2)3)13(17)15-4/h10-11H,2,5-8H2,1,3-4H3,(H2,14,16)(H,15,17)/t10-,11?/m0/s1
InChIKeyLXIYKVVVNCMVNO-VUWPPUDQSA-N
MW240.35 g/mol
LogP1.61
Rot. Bonds8

About (2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide

(2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide (PubChem CID 154531690) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide.

Molecular Properties

Compound Name(2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide
PubChem CID154531690
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide
SMILESC=C(C)CC(C(=O)NC)[C@H](CCCC)C(N)=O
InChIInChI=1S/C13H24N2O2/c1-5-6-7-10(12(14)16)11(8-9(2)3)13(17)15-4/h10-11H,2,5-8H2,1,3-4H3,(H2,14,16)(H,15,17)/t10-,11?/m0/s1
InChIKeyLXIYKVVVNCMVNO-VUWPPUDQSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
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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Related Compounds

N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide
CID 142005655
N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide
CID 138715999
(2S)-N'-ethyl-3-(2-methylprop-2-enyl)-2-prop-2-enylbutanediamide
CID 89200891
N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide
CID 22972626
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381
N-methyl-2-octadecylbutanediamide
CID 88809525
(2S)-2-butyl-3-(cyclobutylmethyl)-N'-iodobutanediamide
CID 142005684
N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide
CID 22972674
N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide
CID 22972676
N-carbamoyl-2-propan-2-ylhexanamide
CID 175202627
3-carbamoylheptane-2-sulfonic acid
CID 122612183
2-butylpropanediamide
CID 2317243

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide?
The IUPAC name of (2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide (CID 154531690) is (2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide.
What is the SMILES notation for (2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide?
The canonical SMILES for (2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide is C=C(C)CC(C(=O)NC)[C@H](CCCC)C(N)=O.
What is the InChIKey of (2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide?
The InChIKey is LXIYKVVVNCMVNO-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-6-7-10(12(14)16)11(8-9(2)3)13(17)15-4/h10-11H,2,5-8H2,1,3-4H3,(H2,14,16)(H,15,17)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide?
(2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide has a molecular weight of 240.35 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)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide is sourced from PubChem (CID 154531690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).