N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide

C22H28N2O3 — CID 133237103

IUPACN-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)C(C(=O)NCCCO)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-17(2)22(27)24(16-18-10-5-3-6-11-18)20(19-12-7-4-8-13-19)21(26)23-14-9-15-25/h3-8,10-13,17,20,25H,9,14-16H2,1-2H3,(H,23,26)
InChIKeyIIMVYDBOIRLTOD-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.91
Rot. Bonds9

About N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide

N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide (PubChem CID 133237103) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
PubChem CID133237103
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)C(C(=O)NCCCO)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-17(2)22(27)24(16-18-10-5-3-6-11-18)20(19-12-7-4-8-13-19)21(26)23-14-9-15-25/h3-8,10-13,17,20,25H,9,14-16H2,1-2H3,(H,23,26)
InChIKeyIIMVYDBOIRLTOD-UHFFFAOYSA-N
XLogP2.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.91
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-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133236940
N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 133238194
2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
CID 133237228
N-[(4-chlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237646
2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide
CID 133237048
N-benzyl-2-methyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]propanamide
CID 133148930
N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide
CID 133148950
N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237652
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
CID 133238329
2-[benzyl-(2-phenylacetyl)amino]-N-(2-hydroxyethyl)propanamide
CID 133148954
N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
CID 107028408
2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238250

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide?
The IUPAC name of N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide (CID 133237103) is N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide.
What is the SMILES notation for N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide?
The canonical SMILES for N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide is CC(C)C(=O)N(Cc1ccccc1)C(C(=O)NCCCO)c1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide?
The InChIKey is IIMVYDBOIRLTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(2)22(27)24(16-18-10-5-3-6-11-18)20(19-12-7-4-8-13-19)21(26)23-14-9-15-25/h3-8,10-13,17,20,25H,9,14-16H2,1-2H3,(H,23,26).
What are the key properties of N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide?
N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide has a molecular weight of 368.48 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide is sourced from PubChem (CID 133237103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).