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

C21H28N2O3 — CID 54829343

IUPAC2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESCOCCCNCC(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C21H28N2O3/c1-25-15-8-14-22-17-21(24)23-19-12-5-6-13-20(19)26-16-7-11-18-9-3-2-4-10-18/h2-6,9-10,12-13,22H,7-8,11,14-17H2,1H3,(H,23,24)
InChIKeyHMFRKSDQZCLSRE-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.26
Rot. Bonds12

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

2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 54829343) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
PubChem CID54829343
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESCOCCCNCC(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C21H28N2O3/c1-25-15-8-14-22-17-21(24)23-19-12-5-6-13-20(19)26-16-7-11-18-9-3-2-4-10-18/h2-6,9-10,12-13,22H,7-8,11,14-17H2,1H3,(H,23,24)
InChIKeyHMFRKSDQZCLSRE-UHFFFAOYSA-N
XLogP3.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
2-(3-methoxypropylamino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54829121
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818603
N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827070
4-[3-[2-(3-methoxypropoxy)anilino]-3-oxopropyl]benzoic acid
CID 119182274
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 168520539
N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839684
2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54823768
2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54813100
N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826855
2-(dipropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818625

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide (CID 54829343) is 2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide is COCCCNCC(=O)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is HMFRKSDQZCLSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-25-15-8-14-22-17-21(24)23-19-12-5-6-13-20(19)26-16-7-11-18-9-3-2-4-10-18/h2-6,9-10,12-13,22H,7-8,11,14-17H2,1H3,(H,23,24).
What are the key properties of 2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.26, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54829343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).