N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide

C17H30N2O2 — CID 22972626

IUPACN'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide
SMILESC=C(C)CC(C(=O)NC(C)(C)C)C(CCC1CC1)C(N)=O
InChIInChI=1S/C17H30N2O2/c1-11(2)10-14(16(21)19-17(3,4)5)13(15(18)20)9-8-12-6-7-12/h12-14H,1,6-10H2,2-5H3,(H2,18,20)(H,19,21)
InChIKeyHJAXJHRSEYAIHJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.78
Rot. Bonds8

About N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide

N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide (PubChem CID 22972626) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide
PubChem CID22972626
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide
SMILESC=C(C)CC(C(=O)NC(C)(C)C)C(CCC1CC1)C(N)=O
InChIInChI=1S/C17H30N2O2/c1-11(2)10-14(16(21)19-17(3,4)5)13(15(18)20)9-8-12-6-7-12/h12-14H,1,6-10H2,2-5H3,(H2,18,20)(H,19,21)
InChIKeyHJAXJHRSEYAIHJ-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.78
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'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide
CID 22972628
N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide
CID 22972674
N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide
CID 22972622
N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide
CID 20790175
(2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide
CID 71148603
2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide
CID 89093747
(2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide
CID 154531690
N'-tert-butyl-3-[(2-methylcyclopropyl)methyl]-2-prop-2-enylbutanediamide
CID 22972632
1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 59033328
1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 59033290
(2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide
CID 112735424
(2S)-N'-ethyl-3-(2-methylprop-2-enyl)-2-prop-2-enylbutanediamide
CID 89200891

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide?
The IUPAC name of N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide (CID 22972626) is N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide.
What is the SMILES notation for N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide?
The canonical SMILES for N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide is C=C(C)CC(C(=O)NC(C)(C)C)C(CCC1CC1)C(N)=O.
What is the InChIKey of N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide?
The InChIKey is HJAXJHRSEYAIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11(2)10-14(16(21)19-17(3,4)5)13(15(18)20)9-8-12-6-7-12/h12-14H,1,6-10H2,2-5H3,(H2,18,20)(H,19,21).
What are the key properties of N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide?
N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide has a molecular weight of 294.44 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide is sourced from PubChem (CID 22972626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).