N'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide

C17H30N2O2 — CID 22972635

IUPACN'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide
SMILESC=CCC(C(N)=O)C(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-5-8-13(15(18)20)14(11-12-9-6-7-10-12)16(21)19-17(2,3)4/h5,12-14H,1,6-11H2,2-4H3,(H2,18,20)(H,19,21)
InChIKeyIZMBCFLZLFSOIU-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.78
Rot. Bonds7

About N'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide

N'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide (PubChem CID 22972635) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide.

Molecular Properties

Compound NameN'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide
PubChem CID22972635
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide
SMILESC=CCC(C(N)=O)C(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-5-8-13(15(18)20)14(11-12-9-6-7-10-12)16(21)19-17(2,3)4/h5,12-14H,1,6-11H2,2-4H3,(H2,18,20)(H,19,21)
InChIKeyIZMBCFLZLFSOIU-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide?
The IUPAC name of N'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide (CID 22972635) is N'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide.
What is the SMILES notation for N'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide?
The canonical SMILES for N'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide is C=CCC(C(N)=O)C(CC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide?
The InChIKey is IZMBCFLZLFSOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-8-13(15(18)20)14(11-12-9-6-7-10-12)16(21)19-17(2,3)4/h5,12-14H,1,6-11H2,2-4H3,(H2,18,20)(H,19,21).
What are the key properties of N'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide?
N'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide has a molecular weight of 294.44 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide is sourced from PubChem (CID 22972635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).