1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide

C23H32N2O2 — CID 145460869

IUPAC1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide
SMILESCC.COc1cccc(-c2cccc(C(C(C)=O)C3CC3)c2)c1.[H]/N=C(\C)N
InChIInChI=1S/C19H20O2.C2H6N2.C2H6/c1-13(20)19(14-9-10-14)17-7-3-5-15(11-17)16-6-4-8-18(12-16)21-2;1-2(3)4;1-2/h3-8,11-12,14,19H,9-10H2,1-2H3;1H3,(H3,3,4);1-2H3
InChIKeyPUKXWSZWXDTKGJ-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.41
Rot. Bonds5

About 1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide

1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide (PubChem CID 145460869) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide.

Molecular Properties

Compound Name1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide
PubChem CID145460869
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide
SMILESCC.COc1cccc(-c2cccc(C(C(C)=O)C3CC3)c2)c1.[H]/N=C(\C)N
InChIInChI=1S/C19H20O2.C2H6N2.C2H6/c1-13(20)19(14-9-10-14)17-7-3-5-15(11-17)16-6-4-8-18(12-16)21-2;1-2(3)4;1-2/h3-8,11-12,14,19H,9-10H2,1-2H3;1H3,(H3,3,4);1-2H3
InChIKeyPUKXWSZWXDTKGJ-UHFFFAOYSA-N
XLogP5.41
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
CID 116712494
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-cyclopropyl-6-(3-methoxyphenyl)-2-oxopyridine-3-carboximidamide
CID 82518505
[6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568925

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide?
The IUPAC name of 1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide (CID 145460869) is 1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide.
What is the SMILES notation for 1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide?
The canonical SMILES for 1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide is CC.COc1cccc(-c2cccc(C(C(C)=O)C3CC3)c2)c1.[H]/N=C(\C)N.
What is the InChIKey of 1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide?
The InChIKey is PUKXWSZWXDTKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2.C2H6N2.C2H6/c1-13(20)19(14-9-10-14)17-7-3-5-15(11-17)16-6-4-8-18(12-16)21-2;1-2(3)4;1-2/h3-8,11-12,14,19H,9-10H2,1-2H3;1H3,(H3,3,4);1-2H3.
What are the key properties of 1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide?
1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide has a molecular weight of 368.52 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide is sourced from PubChem (CID 145460869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).