N-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C17H30N2O2 — CID 51272751

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)N(C)CC(=O)NC(C)(C)C)C1(C)C
InChIInChI=1S/C17H30N2O2/c1-11(2)9-12-14(17(12,6)7)15(21)19(8)10-13(20)18-16(3,4)5/h9,12,14H,10H2,1-8H3,(H,18,20)
InChIKeyLSFHTTRKQHHDLL-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.60
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 51272751) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID51272751
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)N(C)CC(=O)NC(C)(C)C)C1(C)C
InChIInChI=1S/C17H30N2O2/c1-11(2)9-12-14(17(12,6)7)15(21)19(8)10-13(20)18-16(3,4)5/h9,12,14H,10H2,1-8H3,(H,18,20)
InChIKeyLSFHTTRKQHHDLL-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
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-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 51272751) is N-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)N(C)CC(=O)NC(C)(C)C)C1(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is LSFHTTRKQHHDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11(2)9-12-14(17(12,6)7)15(21)19(8)10-13(20)18-16(3,4)5/h9,12,14H,10H2,1-8H3,(H,18,20).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 51272751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).