2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide

C16H26N2O3 — CID 105058024

IUPAC2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NC(C)(CO)c1ccccc1
InChIInChI=1S/C16H26N2O3/c1-13(15(20)17-10-7-11-21-3)18-16(2,12-19)14-8-5-4-6-9-14/h4-6,8-9,13,18-19H,7,10-12H2,1-3H3,(H,17,20)
InChIKeyKHEBSSILLLFOBQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.02
Rot. Bonds9

About 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide

2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide (PubChem CID 105058024) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide
PubChem CID105058024
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NC(C)(CO)c1ccccc1
InChIInChI=1S/C16H26N2O3/c1-13(15(20)17-10-7-11-21-3)18-16(2,12-19)14-8-5-4-6-9-14/h4-6,8-9,13,18-19H,7,10-12H2,1-3H3,(H,17,20)
InChIKeyKHEBSSILLLFOBQ-UHFFFAOYSA-N
XLogP1.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-pentylpropanamide
CID 105057949
2-(3-methoxypropylamino)-2-phenylpropan-1-ol
CID 115621374
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentan-2-ylpropanamide
CID 105057950
N-cyclopropyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanamide
CID 105058005
ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate
CID 105057990
2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-5-methoxypentanamide
CID 105058068
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115621387
2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide
CID 79099906
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide
CID 112724062
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954401

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide (CID 105058024) is 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)NC(C)(CO)c1ccccc1.
What is the InChIKey of 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide?
The InChIKey is KHEBSSILLLFOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13(15(20)17-10-7-11-21-3)18-16(2,12-19)14-8-5-4-6-9-14/h4-6,8-9,13,18-19H,7,10-12H2,1-3H3,(H,17,20).
What are the key properties of 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide?
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.02, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 105058024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).