N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide

C22H36N2O3 — CID 46057209

IUPACN-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide
SMILESCC(C)CCN(CC1CN(Cc2ccccc2O)CCO1)C(=O)CC(C)C
InChIInChI=1S/C22H36N2O3/c1-17(2)9-10-24(22(26)13-18(3)4)16-20-15-23(11-12-27-20)14-19-7-5-6-8-21(19)25/h5-8,17-18,20,25H,9-16H2,1-4H3
InChIKeyFJGVIEBHIBCRML-UHFFFAOYSA-N
MW376.54 g/mol
LogP3.51
Rot. Bonds9

About N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide

N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide (PubChem CID 46057209) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound NameN-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide
PubChem CID46057209
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC NameN-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide
SMILESCC(C)CCN(CC1CN(Cc2ccccc2O)CCO1)C(=O)CC(C)C
InChIInChI=1S/C22H36N2O3/c1-17(2)9-10-24(22(26)13-18(3)4)16-20-15-23(11-12-27-20)14-19-7-5-6-8-21(19)25/h5-8,17-18,20,25H,9-16H2,1-4H3
InChIKeyFJGVIEBHIBCRML-UHFFFAOYSA-N
XLogP3.51
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 92988428
N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42862483
N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 42859648
N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 92989347
N,N-dimethyl-1-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]methanamine
CID 95333023
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989874
N-[[4-(furan-2-ylmethyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 42849325
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 42862133
2-fluoro-N-[[(2R)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92989345
N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 42862506

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide?
The IUPAC name of N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide (CID 46057209) is N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide.
What is the SMILES notation for N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide?
The canonical SMILES for N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide is CC(C)CCN(CC1CN(Cc2ccccc2O)CCO1)C(=O)CC(C)C.
What is the InChIKey of N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide?
The InChIKey is FJGVIEBHIBCRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-17(2)9-10-24(22(26)13-18(3)4)16-20-15-23(11-12-27-20)14-19-7-5-6-8-21(19)25/h5-8,17-18,20,25H,9-16H2,1-4H3.
What are the key properties of N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide?
N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide has a molecular weight of 376.54 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 46057209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).