N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C17H30N2O2 — CID 51127214

IUPACN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCCC(C)NC(=O)C(C)NC(=O)C1C(C=C(C)C)C1(C)C
InChIInChI=1S/C17H30N2O2/c1-8-11(4)18-15(20)12(5)19-16(21)14-13(9-10(2)3)17(14,6)7/h9,11-14H,8H2,1-7H3,(H,18,20)(H,19,21)
InChIKeyABGKOUBIHOFNHY-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.64
Rot. Bonds6

About N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 51127214) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID51127214
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCCC(C)NC(=O)C(C)NC(=O)C1C(C=C(C)C)C1(C)C
InChIInChI=1S/C17H30N2O2/c1-8-11(4)18-15(20)12(5)19-16(21)14-13(9-10(2)3)17(14,6)7/h9,11-14H,8H2,1-7H3,(H,18,20)(H,19,21)
InChIKeyABGKOUBIHOFNHY-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.64
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-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 51127214) is N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CCC(C)NC(=O)C(C)NC(=O)C1C(C=C(C)C)C1(C)C.
What is the InChIKey of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is ABGKOUBIHOFNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-8-11(4)18-15(20)12(5)19-16(21)14-13(9-10(2)3)17(14,6)7/h9,11-14H,8H2,1-7H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 51127214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).