N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide

C21H24N2O3 — CID 46595082

IUPACN-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCc1ccccc1OCC(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-14-5-3-4-6-19(14)26-13-20(24)22-15(2)16-9-11-18(12-10-16)23-21(25)17-7-8-17/h3-6,9-12,15,17H,7-8,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNNBMBPUONUWTSL-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.60
Rot. Bonds7

About N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 46595082) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID46595082
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCc1ccccc1OCC(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-14-5-3-4-6-19(14)26-13-20(24)22-15(2)16-9-11-18(12-10-16)23-21(25)17-7-8-17/h3-6,9-12,15,17H,7-8,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNNBMBPUONUWTSL-UHFFFAOYSA-N
XLogP3.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021116
N-[4-[1-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021118
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
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505
N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021124
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 94843850
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085650
2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096211
N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
CID 55657686
N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474980
N-[4-[1-[(2-naphthalen-2-ylacetyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468266

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide (CID 46595082) is N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide is Cc1ccccc1OCC(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is NNBMBPUONUWTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-5-3-4-6-19(14)26-13-20(24)22-15(2)16-9-11-18(12-10-16)23-21(25)17-7-8-17/h3-6,9-12,15,17H,7-8,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46595082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).