N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide

C24H23N3O3 — CID 46546333

IUPACN-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C24H23N3O3/c28-22(16-30-20-10-6-9-19(15-20)26-24(29)18-12-13-18)27-23(17-7-2-1-3-8-17)21-11-4-5-14-25-21/h1-11,14-15,18,23H,12-13,16H2,(H,26,29)(H,27,28)
InChIKeyGZIJCELUFOZNGA-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.71
Rot. Bonds8

About N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 46546333) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide
PubChem CID46546333
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C24H23N3O3/c28-22(16-30-20-10-6-9-19(15-20)26-24(29)18-12-13-18)27-23(17-7-2-1-3-8-17)21-11-4-5-14-25-21/h1-11,14-15,18,23H,12-13,16H2,(H,26,29)(H,27,28)
InChIKeyGZIJCELUFOZNGA-UHFFFAOYSA-N
XLogP3.71
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 51152064
N-[3-[2-[(3-methyl-2-phenylbutyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46433039
N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 119498857
(E)-2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]hex-4-enoic acid
CID 120692841
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75445818
N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616234
methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 46546821
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide (CID 46546333) is N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide is O=C(COc1cccc(NC(=O)C2CC2)c1)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is GZIJCELUFOZNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-22(16-30-20-10-6-9-19(15-20)26-24(29)18-12-13-18)27-23(17-7-2-1-3-8-17)21-11-4-5-14-25-21/h1-11,14-15,18,23H,12-13,16H2,(H,26,29)(H,27,28).
What are the key properties of N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46546333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).