2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide

C17H28N2O2 — CID 105057949

IUPAC2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NC(C)(CO)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-4-5-9-12-18-16(21)14(2)19-17(3,13-20)15-10-7-6-8-11-15/h6-8,10-11,14,19-20H,4-5,9,12-13H2,1-3H3,(H,18,21)
InChIKeyUDGRJADYAAUDHD-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.18
Rot. Bonds9

About 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide

2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide (PubChem CID 105057949) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide
PubChem CID105057949
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NC(C)(CO)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-4-5-9-12-18-16(21)14(2)19-17(3,13-20)15-10-7-6-8-11-15/h6-8,10-11,14,19-20H,4-5,9,12-13H2,1-3H3,(H,18,21)
InChIKeyUDGRJADYAAUDHD-UHFFFAOYSA-N
XLogP2.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide
CID 105058024
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentan-2-ylpropanamide
CID 105057950
ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate
CID 105057990
N-cyclopropyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanamide
CID 105058005
1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea
CID 115635344
benzyl N-[1-oxo-1-(undecylamino)propan-2-yl]carbamate
CID 135363968
N-hexyl-3,3,3-triphenylpropanamide
CID 11417778
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylpropanamide
CID 46420935
2-(2-methylanilino)-N-pentylpropanamide
CID 43113317
N-pentyl-2-(2-phenoxyethylamino)propanamide
CID 60720089
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 105058043
N,N'-dihexyl-2-phenylpropanediamide
CID 3396321

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide?
The IUPAC name of 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide (CID 105057949) is 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide.
What is the SMILES notation for 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide?
The canonical SMILES for 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide is CCCCCNC(=O)C(C)NC(C)(CO)c1ccccc1.
What is the InChIKey of 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide?
The InChIKey is UDGRJADYAAUDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-5-9-12-18-16(21)14(2)19-17(3,13-20)15-10-7-6-8-11-15/h6-8,10-11,14,19-20H,4-5,9,12-13H2,1-3H3,(H,18,21).
What are the key properties of 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide?
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 2.18, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide is sourced from PubChem (CID 105057949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).