N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide

C12H19F3N2O2 — CID 86833572

IUPACN-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCN(CCC(F)(F)F)C(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C12H19F3N2O2/c1-17(8-6-12(13,14)15)10(18)3-2-7-16-11(19)9-4-5-9/h9H,2-8H2,1H3,(H,16,19)
InChIKeyVYSADPUQAPQOPO-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.70
Rot. Bonds7

About N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 86833572) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID86833572
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCN(CCC(F)(F)F)C(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C12H19F3N2O2/c1-17(8-6-12(13,14)15)10(18)3-2-7-16-11(19)9-4-5-9/h9H,2-8H2,1H3,(H,16,19)
InChIKeyVYSADPUQAPQOPO-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
CID 115491611
4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63227240
N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 109388484
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide
CID 51080880
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111999419
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021
N-[4-[(2-bromophenyl)methyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46429667
2-[4-(cyclopropanecarbonylamino)butanoyl-ethylamino]acetic acid
CID 119206541
N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide
CID 119291998
5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 82851778

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide (CID 86833572) is N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide is CN(CCC(F)(F)F)C(=O)CCCNC(=O)C1CC1.
What is the InChIKey of N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is VYSADPUQAPQOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-17(8-6-12(13,14)15)10(18)3-2-7-16-11(19)9-4-5-9/h9H,2-8H2,1H3,(H,16,19).
What are the key properties of N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 86833572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).