3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide

C18H22N2O3 — CID 119321262

IUPAC3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide
SMILESCOCCc1ccc(Oc2ccc(NC(=O)CCN)cc2)cc1
InChIInChI=1S/C18H22N2O3/c1-22-13-11-14-2-6-16(7-3-14)23-17-8-4-15(5-9-17)20-18(21)10-12-19/h2-9H,10-13,19H2,1H3,(H,20,21)
InChIKeyNUZVSGZEGMVPLF-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.96
Rot. Bonds8

About 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide

3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide (PubChem CID 119321262) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide
PubChem CID119321262
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide
SMILESCOCCc1ccc(Oc2ccc(NC(=O)CCN)cc2)cc1
InChIInChI=1S/C18H22N2O3/c1-22-13-11-14-2-6-16(7-3-14)23-17-8-4-15(5-9-17)20-18(21)10-12-19/h2-9H,10-13,19H2,1H3,(H,20,21)
InChIKeyNUZVSGZEGMVPLF-UHFFFAOYSA-N
XLogP2.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
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3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
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CID 119779626
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
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N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
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N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 24575363
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3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide
CID 43707093

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide?
The IUPAC name of 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide (CID 119321262) is 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide?
The canonical SMILES for 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide is COCCc1ccc(Oc2ccc(NC(=O)CCN)cc2)cc1.
What is the InChIKey of 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide?
The InChIKey is NUZVSGZEGMVPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-13-11-14-2-6-16(7-3-14)23-17-8-4-15(5-9-17)20-18(21)10-12-19/h2-9H,10-13,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide?
3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide is sourced from PubChem (CID 119321262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).