2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide

C21H28N2O3 — CID 120590524

IUPAC2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
SMILESCC(C)OCCOCc1cccc(NC(=O)C(C)(N)c2ccccc2)c1
InChIInChI=1S/C21H28N2O3/c1-16(2)26-13-12-25-15-17-8-7-11-19(14-17)23-20(24)21(3,22)18-9-5-4-6-10-18/h4-11,14,16H,12-13,15,22H2,1-3H3,(H,23,24)
InChIKeyHAAWHPBCDATMFA-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.44
Rot. Bonds9

About 2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide

2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide (PubChem CID 120590524) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
PubChem CID120590524
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
SMILESCC(C)OCCOCc1cccc(NC(=O)C(C)(N)c2ccccc2)c1
InChIInChI=1S/C21H28N2O3/c1-16(2)26-13-12-25-15-17-8-7-11-19(14-17)23-20(24)21(3,22)18-9-5-4-6-10-18/h4-11,14,16H,12-13,15,22H2,1-3H3,(H,23,24)
InChIKeyHAAWHPBCDATMFA-UHFFFAOYSA-N
XLogP3.44
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.44
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

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4-ethenyl-2-(4-fluorophenyl)-N-(3-methylphenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328403
N-[3-[(2R,4S)-4-acetamidooxan-2-yl]phenyl]butanamide
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N-[3-[(2R,4S)-4-acetamidooxan-2-yl]phenyl]-2-phenylacetamide
CID 110129828
US11401270, Example 35
CID 142567013

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide?
The IUPAC name of 2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide (CID 120590524) is 2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide?
The canonical SMILES for 2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide is CC(C)OCCOCc1cccc(NC(=O)C(C)(N)c2ccccc2)c1.
What is the InChIKey of 2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide?
The InChIKey is HAAWHPBCDATMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16(2)26-13-12-25-15-17-8-7-11-19(14-17)23-20(24)21(3,22)18-9-5-4-6-10-18/h4-11,14,16H,12-13,15,22H2,1-3H3,(H,23,24).
What are the key properties of 2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide?
2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide is sourced from PubChem (CID 120590524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).