N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide

C16H28N2O2 — CID 47126937

IUPACN,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)N(C)CC(=O)NC(C)C)C1(C)C
InChIInChI=1S/C16H28N2O2/c1-10(2)8-12-14(16(12,5)6)15(20)18(7)9-13(19)17-11(3)4/h8,11-12,14H,9H2,1-7H3,(H,17,19)
InChIKeyIQPLJFQXWROXJF-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.21
Rot. Bonds5

About N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide

N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide (PubChem CID 47126937) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
PubChem CID47126937
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)N(C)CC(=O)NC(C)C)C1(C)C
InChIInChI=1S/C16H28N2O2/c1-10(2)8-12-14(16(12,5)6)15(20)18(7)9-13(19)17-11(3)4/h8,11-12,14H,9H2,1-7H3,(H,17,19)
InChIKeyIQPLJFQXWROXJF-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459652
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 51127214
N-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 51272751
N-(2-amino-2-oxoethyl)-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 53507059
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 53513294
4-[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-3-methylpiperazin-2-one
CID 60234015
N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18712264
2,2-dimethyl-3-(2-methylprop-1-en-1-yl)-N-(propan-2-yl)cyclopropane-1-carboxamide
CID 23548824
(3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363638
(E,2S,3R,4R)-N-tert-butyl-2-[2,2-dimethylpropanoyl(methyl)amino]-3,4-dimethyloct-6-enamide
CID 60124139
N-[1-[[(3S)-2,5-dimethylhex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1,4-dimethylpiperidine-2-carboxamide
CID 68053673
(3R)-N-[(3S)-2,2-dimethyl-4-oxohexan-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 68277795

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide (CID 47126937) is N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)N(C)CC(=O)NC(C)C)C1(C)C.
What is the InChIKey of N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide?
The InChIKey is IQPLJFQXWROXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-10(2)8-12-14(16(12,5)6)15(20)18(7)9-13(19)17-11(3)4/h8,11-12,14H,9H2,1-7H3,(H,17,19).
What are the key properties of N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide?
N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 47126937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).