2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide

C24H32N2O3 — CID 78820947

IUPAC2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CN(Cc1ccccc1O)CC1CCCO1)c1ccccc1
InChIInChI=1S/C24H32N2O3/c1-2-9-22(19-10-4-3-5-11-19)25-24(28)18-26(17-21-13-8-15-29-21)16-20-12-6-7-14-23(20)27/h3-7,10-12,14,21-22,27H,2,8-9,13,15-18H2,1H3,(H,25,28)
InChIKeyQEVMTYGWSBQBBP-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.03
Rot. Bonds10

About 2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide

2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide (PubChem CID 78820947) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide
PubChem CID78820947
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CN(Cc1ccccc1O)CC1CCCO1)c1ccccc1
InChIInChI=1S/C24H32N2O3/c1-2-9-22(19-10-4-3-5-11-19)25-24(28)18-26(17-21-13-8-15-29-21)16-20-12-6-7-14-23(20)27/h3-7,10-12,14,21-22,27H,2,8-9,13,15-18H2,1H3,(H,25,28)
InChIKeyQEVMTYGWSBQBBP-UHFFFAOYSA-N
XLogP4.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 60501069
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62612291
methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 82969495
2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
CID 42836975
3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid
CID 63073130
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide
CID 55840577
N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide
CID 55995840
N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 78899690
N-[(1S)-1-phenylbutyl]oxane-4-carboxamide
CID 95203312
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
N-(2-fluoro-5-methylphenyl)-2-[(2-methylphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 124755387

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide?
The IUPAC name of 2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide (CID 78820947) is 2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide?
The canonical SMILES for 2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide is CCCC(NC(=O)CN(Cc1ccccc1O)CC1CCCO1)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide?
The InChIKey is QEVMTYGWSBQBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-2-9-22(19-10-4-3-5-11-19)25-24(28)18-26(17-21-13-8-15-29-21)16-20-12-6-7-14-23(20)27/h3-7,10-12,14,21-22,27H,2,8-9,13,15-18H2,1H3,(H,25,28).
What are the key properties of 2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide?
2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide has a molecular weight of 396.53 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide is sourced from PubChem (CID 78820947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).