acetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine

C38H52F3N3O2 — CID 156717992

IUPACacetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine
SMILESC.C/C=C\NCCc1cc2c(c(-c3ccc(C(F)(F)F)cc3)n1)OCC2.CC(N)=O.CC1CC1.Cc1ccc(CC2CC2)c(C)c1
InChIInChI=1S/C19H19F3N2O.C12H16.C4H8.C2H5NO.CH4/c1-2-9-23-10-7-16-12-14-8-11-25-18(14)17(24-16)13-3-5-15(6-4-13)19(20,21)22;1-9-3-6-12(10(2)7-9)8-11-4-5-11;1-4-2-3-4;1-2(3)4;/h2-6,9,12,23H,7-8,10-11H2,1H3;3,6-7,11H,4-5,8H2,1-2H3;4H,2-3H2,1H3;1H3,(H2,3,4);1H4/b9-2-;;;;
InChIKeyHPDWEQYUBAOOGK-FDMUVPPWSA-N
MW639.85 g/mol
LogP9.17
Rot. Bonds7

About acetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine

acetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine (PubChem CID 156717992) has the molecular formula C38H52F3N3O2 and a molecular weight of 639.85 g/mol. Its IUPAC name is acetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine.

Molecular Properties

Compound Nameacetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine
PubChem CID156717992
Molecular FormulaC38H52F3N3O2
Molecular Weight639.85 g/mol
Exact Mass639.40
IUPAC Nameacetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine
SMILESC.C/C=C\NCCc1cc2c(c(-c3ccc(C(F)(F)F)cc3)n1)OCC2.CC(N)=O.CC1CC1.Cc1ccc(CC2CC2)c(C)c1
InChIInChI=1S/C19H19F3N2O.C12H16.C4H8.C2H5NO.CH4/c1-2-9-23-10-7-16-12-14-8-11-25-18(14)17(24-16)13-3-5-15(6-4-13)19(20,21)22;1-9-3-6-12(10(2)7-9)8-11-4-5-11;1-4-2-3-4;1-2(3)4;/h2-6,9,12,23H,7-8,10-11H2,1H3;3,6-7,11H,4-5,8H2,1-2H3;4H,2-3H2,1H3;1H3,(H2,3,4);1H4/b9-2-;;;;
InChIKeyHPDWEQYUBAOOGK-FDMUVPPWSA-N
XLogP9.17
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.85
LogP ≤ 59.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze acetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine with MolForge

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Related Compounds

(2S)-2-methyl-N-[(1R)-1-[5-[(2-methylphenyl)methoxy]pyridin-2-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 118503380
4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide
CID 123271054
3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine
CID 142385599
N-[1-[3-[(Z)-3,4-dimethylpent-2-en-2-yl]-4-methylphenyl]ethenyl]-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine;ethane
CID 144096566
3-fluoro-N-[2-[[5-methoxy-6-[(1S,3R)-3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]oxy]ethyl]propan-1-amine
CID 146685329
3,3,3-Trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
CID 148974588
N-ethenyl-2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine
CID 156235797
2-[3-(cyclopropylmethylamino)sulfanyl-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methylethanamine
CID 156235807
2-[7-[2-(4-Fluoro-3-methylphenyl)ethynyl]-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine
CID 156235850
N-[2-[(3R)-3-(2-aminocyclopropyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-4-cyclopropyloxy-3-[(2E,4Z,6Z)-6-(trifluoromethyl)nona-2,4,6,8-tetraen-2-yl]benzamide
CID 156235882
2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methylethanamine
CID 156236048
2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methylethanamine
CID 156236075

Frequently Asked Questions

What is the IUPAC name of acetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine?
The IUPAC name of acetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine (CID 156717992) is acetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine.
What is the SMILES notation for acetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine?
The canonical SMILES for acetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine is C.C/C=C\NCCc1cc2c(c(-c3ccc(C(F)(F)F)cc3)n1)OCC2.CC(N)=O.CC1CC1.Cc1ccc(CC2CC2)c(C)c1.
What is the InChIKey of acetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine?
The InChIKey is HPDWEQYUBAOOGK-FDMUVPPWSA-N. The full InChI is InChI=1S/C19H19F3N2O.C12H16.C4H8.C2H5NO.CH4/c1-2-9-23-10-7-16-12-14-8-11-25-18(14)17(24-16)13-3-5-15(6-4-13)19(20,21)22;1-9-3-6-12(10(2)7-9)8-11-4-5-11;1-4-2-3-4;1-2(3)4;/h2-6,9,12,23H,7-8,10-11H2,1H3;3,6-7,11H,4-5,8H2,1-2H3;4H,2-3H2,1H3;1H3,(H2,3,4);1H4/b9-2-;;;;.
What are the key properties of acetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine?
acetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine has a molecular weight of 639.85 g/mol, XLogP of 9.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;1-(cyclopropylmethyl)-2,4-dimethylbenzene;methane;methylcyclopropane;(Z)-N-[2-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]prop-1-en-1-amine is sourced from PubChem (CID 156717992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).