N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide

C15H22N2O2 — CID 17438740

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(C(CNC(=O)C2CC2)N(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-17(2)14(10-16-15(18)12-4-5-12)11-6-8-13(19-3)9-7-11/h6-9,12,14H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyXDYOCOKOINENFN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.82
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide (PubChem CID 17438740) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide
PubChem CID17438740
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(C(CNC(=O)C2CC2)N(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-17(2)14(10-16-15(18)12-4-5-12)11-6-8-13(19-3)9-7-11/h6-9,12,14H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyXDYOCOKOINENFN-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide (CID 17438740) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide is COc1ccc(C(CNC(=O)C2CC2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide?
The InChIKey is XDYOCOKOINENFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(2)14(10-16-15(18)12-4-5-12)11-6-8-13(19-3)9-7-11/h6-9,12,14H,4-5,10H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 17438740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).