2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide

C18H22N2O2 — CID 54820711

IUPAC2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESCNCC(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-19-14-18(21)20-16-11-5-6-12-17(16)22-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,19H,7,10,13-14H2,1H3,(H,20,21)
InChIKeyNXEYPXYABPUBMZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.86
Rot. Bonds8

About 2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide

2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 54820711) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
PubChem CID54820711
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESCNCC(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-19-14-18(21)20-16-11-5-6-12-17(16)22-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,19H,7,10,13-14H2,1H3,(H,20,21)
InChIKeyNXEYPXYABPUBMZ-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54829343
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
CID 154890001
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 168520539
2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54823768
N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839684
N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827070
2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54813100
2-(dipropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818625
N-(3,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827069
2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818603

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide (CID 54820711) is 2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide is CNCC(=O)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is NXEYPXYABPUBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-14-18(21)20-16-11-5-6-12-17(16)22-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,19H,7,10,13-14H2,1H3,(H,20,21).
What are the key properties of 2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54820711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).