N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide

C22H26N2O4 — CID 134021124

IUPACN-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccccc1OCCC(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H26N2O4/c1-15(16-9-11-18(12-10-16)24-22(26)17-7-8-17)23-21(25)13-14-28-20-6-4-3-5-19(20)27-2/h3-6,9-12,15,17H,7-8,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHYNPIZXTNNDKEV-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.69
Rot. Bonds9

About N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 134021124) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID134021124
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccccc1OCCC(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H26N2O4/c1-15(16-9-11-18(12-10-16)24-22(26)17-7-8-17)23-21(25)13-14-28-20-6-4-3-5-19(20)27-2/h3-6,9-12,15,17H,7-8,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHYNPIZXTNNDKEV-UHFFFAOYSA-N
XLogP3.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595082
N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021116
methyl 5-[[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]amino]-5-oxopentanoate
CID 97347644
N-[4-[1-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021118
N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 120609013
N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021122
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 55584533
3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 108789414
N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55583981
N-[4-[1-[(2-naphthalen-2-ylacetyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468266
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085650

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 134021124) is N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide is COc1ccccc1OCCC(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is HYNPIZXTNNDKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(16-9-11-18(12-10-16)24-22(26)17-7-8-17)23-21(25)13-14-28-20-6-4-3-5-19(20)27-2/h3-6,9-12,15,17H,7-8,13-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 134021124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).