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

C24H32N2O3 — CID 92988428

IUPACN-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C[C@H]1CN(Cc2ccccc2O)CCO1)C(=O)c1ccccc1
InChIInChI=1S/C24H32N2O3/c1-19(2)12-13-26(24(28)20-8-4-3-5-9-20)18-22-17-25(14-15-29-22)16-21-10-6-7-11-23(21)27/h3-11,19,22,27H,12-18H2,1-2H3/t22-/m1/s1
InChIKeyXOXFQMOBFSZXTP-JOCHJYFZSA-N
MW396.53 g/mol
LogP3.78
Rot. Bonds8

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

N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide (PubChem CID 92988428) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
PubChem CID92988428
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C[C@H]1CN(Cc2ccccc2O)CCO1)C(=O)c1ccccc1
InChIInChI=1S/C24H32N2O3/c1-19(2)12-13-26(24(28)20-8-4-3-5-9-20)18-22-17-25(14-15-29-22)16-21-10-6-7-11-23(21)27/h3-11,19,22,27H,12-18H2,1-2H3/t22-/m1/s1
InChIKeyXOXFQMOBFSZXTP-JOCHJYFZSA-N
XLogP3.78
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.78
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-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-3-methyl-N-(3-methylbutyl)butanamide
CID 46057209
N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 42859648
N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42862483
N-[[(2S)-4-[(2S)-2-hydroxy-3-methoxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984293
N-[[(2S)-4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984280
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989874
N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862249
(2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 93327899
4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42849374
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 46060121
N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 92988777
N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 92989347

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide?
The IUPAC name of N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide (CID 92988428) is N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide is CC(C)CCN(C[C@H]1CN(Cc2ccccc2O)CCO1)C(=O)c1ccccc1.
What is the InChIKey of N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide?
The InChIKey is XOXFQMOBFSZXTP-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-19(2)12-13-26(24(28)20-8-4-3-5-9-20)18-22-17-25(14-15-29-22)16-21-10-6-7-11-23(21)27/h3-11,19,22,27H,12-18H2,1-2H3/t22-/m1/s1.
What are the key properties of N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide?
N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide has a molecular weight of 396.53 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 92988428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).