N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide

C26H36N2O4 — CID 42862225

IUPACN-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide
SMILESCCC(C)N(CC1CN(CC(O)Cc2ccccc2)CCO1)C(=O)c1ccccc1OC
InChIInChI=1S/C26H36N2O4/c1-4-20(2)28(26(30)24-12-8-9-13-25(24)31-3)19-23-18-27(14-15-32-23)17-22(29)16-21-10-6-5-7-11-21/h5-13,20,22-23,29H,4,14-19H2,1-3H3
InChIKeyXUZRIPFLVLTUAR-UHFFFAOYSA-N
MW440.58 g/mol
LogP3.24
Rot. Bonds10

About N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide

N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide (PubChem CID 42862225) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide
PubChem CID42862225
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC NameN-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide
SMILESCCC(C)N(CC1CN(CC(O)Cc2ccccc2)CCO1)C(=O)c1ccccc1OC
InChIInChI=1S/C26H36N2O4/c1-4-20(2)28(26(30)24-12-8-9-13-25(24)31-3)19-23-18-27(14-15-32-23)17-22(29)16-21-10-6-5-7-11-21/h5-13,20,22-23,29H,4,14-19H2,1-3H3
InChIKeyXUZRIPFLVLTUAR-UHFFFAOYSA-N
XLogP3.24
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 99731099
N-[(2S)-butan-2-yl]-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 99731101
N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46060141
N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42862268
N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide
CID 93338201
N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 98634563
N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide
CID 92989640
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 100900073
3-fluoro-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46060194
N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 42859648
N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060542
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 99729951

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide (CID 42862225) is N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide is CCC(C)N(CC1CN(CC(O)Cc2ccccc2)CCO1)C(=O)c1ccccc1OC.
What is the InChIKey of N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is XUZRIPFLVLTUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-4-20(2)28(26(30)24-12-8-9-13-25(24)31-3)19-23-18-27(14-15-32-23)17-22(29)16-21-10-6-5-7-11-21/h5-13,20,22-23,29H,4,14-19H2,1-3H3.
What are the key properties of N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide?
N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 440.58 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 42862225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).