N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

C27H37N3O4 — CID 100900073

IUPACN-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(c1ccccc1)N(CCN1CCOCC1)C[C@H]1CN(C[C@H](O)Cc2ccccc2)CCO1
InChIInChI=1S/C27H37N3O4/c31-25(19-23-7-3-1-4-8-23)20-29-15-18-34-26(21-29)22-30(12-11-28-13-16-33-17-14-28)27(32)24-9-5-2-6-10-24/h1-10,25-26,31H,11-22H2/t25-,26-/m1/s1
InChIKeyMPGCBOVYJCOEFL-CLJLJLNGSA-N
MW467.61 g/mol
LogP1.77
Rot. Bonds10

About N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 100900073) has the molecular formula C27H37N3O4 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID100900073
Molecular FormulaC27H37N3O4
Molecular Weight467.61 g/mol
Exact Mass467.28
IUPAC NameN-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(c1ccccc1)N(CCN1CCOCC1)C[C@H]1CN(C[C@H](O)Cc2ccccc2)CCO1
InChIInChI=1S/C27H37N3O4/c31-25(19-23-7-3-1-4-8-23)20-29-15-18-34-26(21-29)22-30(12-11-28-13-16-33-17-14-28)27(32)24-9-5-2-6-10-24/h1-10,25-26,31H,11-22H2/t25-,26-/m1/s1
InChIKeyMPGCBOVYJCOEFL-CLJLJLNGSA-N
XLogP1.77
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(2-hydroxy-3-prop-2-enoxypropyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862348
3-fluoro-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46060194
N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide
CID 92989640
N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 98634563
4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862340
4-fluoro-N-[[4-(2-hydroxypropyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862335
N-[[(2S)-4-[(2S)-2-hydroxy-3-methoxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984293
N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 42859648
N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 92989608
4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 92989592
[2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate
CID 42862384
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861940

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 100900073) is N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is O=C(c1ccccc1)N(CCN1CCOCC1)C[C@H]1CN(C[C@H](O)Cc2ccccc2)CCO1.
What is the InChIKey of N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is MPGCBOVYJCOEFL-CLJLJLNGSA-N. The full InChI is InChI=1S/C27H37N3O4/c31-25(19-23-7-3-1-4-8-23)20-29-15-18-34-26(21-29)22-30(12-11-28-13-16-33-17-14-28)27(32)24-9-5-2-6-10-24/h1-10,25-26,31H,11-22H2/t25-,26-/m1/s1.
What are the key properties of N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 467.61 g/mol, XLogP of 1.77, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 100900073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).