N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide

C15H22N2O2 — CID 43086123

IUPACN-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(CCNC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(15(18)17-13-5-6-13)16-10-9-12-3-7-14(19-2)8-4-12/h3-4,7-8,11,13,16H,5-6,9-10H2,1-2H3,(H,17,18)
InChIKeyGQJKYXHWZRIXAF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.49
Rot. Bonds7

About N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide

N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide (PubChem CID 43086123) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide
PubChem CID43086123
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(CCNC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(15(18)17-13-5-6-13)16-10-9-12-3-7-14(19-2)8-4-12/h3-4,7-8,11,13,16H,5-6,9-10H2,1-2H3,(H,17,18)
InChIKeyGQJKYXHWZRIXAF-UHFFFAOYSA-N
XLogP1.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide (CID 43086123) is N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide is COc1ccc(CCNC(C)C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide?
The InChIKey is GQJKYXHWZRIXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(15(18)17-13-5-6-13)16-10-9-12-3-7-14(19-2)8-4-12/h3-4,7-8,11,13,16H,5-6,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide?
N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide has a molecular weight of 262.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 43086123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).