3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide

C18H22N2O3 — CID 119949876

IUPAC3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
SMILESCOCCOc1cccc(NC(=O)CC(N)c2ccccc2)c1
InChIInChI=1S/C18H22N2O3/c1-22-10-11-23-16-9-5-8-15(12-16)20-18(21)13-17(19)14-6-3-2-4-7-14/h2-9,12,17H,10-11,13,19H2,1H3,(H,20,21)
InChIKeyJDBKEIHBPWWFIE-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.74
Rot. Bonds8

About 3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide

3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide (PubChem CID 119949876) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
PubChem CID119949876
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
SMILESCOCCOc1cccc(NC(=O)CC(N)c2ccccc2)c1
InChIInChI=1S/C18H22N2O3/c1-22-10-11-23-16-9-5-8-15(12-16)20-18(21)13-17(19)14-6-3-2-4-7-14/h2-9,12,17H,10-11,13,19H2,1H3,(H,20,21)
InChIKeyJDBKEIHBPWWFIE-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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

3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 54862322
3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949874
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide
CID 119949591
4-[3-(2-methoxyethoxy)anilino]-4-oxobutanoic acid
CID 17169763
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
2-(2-methoxyethylamino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54819962
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid
CID 64890275
2-[3-(2-methoxyethoxy)anilino]-N-(1-phenylethyl)acetamide
CID 54829392
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide (CID 119949876) is 3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide is COCCOc1cccc(NC(=O)CC(N)c2ccccc2)c1.
What is the InChIKey of 3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide?
The InChIKey is JDBKEIHBPWWFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-10-11-23-16-9-5-8-15(12-16)20-18(21)13-17(19)14-6-3-2-4-7-14/h2-9,12,17H,10-11,13,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide?
3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119949876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).