N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide

C21H34N2O5 — CID 99732768

IUPACN-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C[C@H]1CN(C[C@@H](O)C(C)C)CCO1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H34N2O5/c1-16(2)20(24)15-22-9-12-28-19(13-22)14-23(10-11-26-3)21(25)17-5-7-18(27-4)8-6-17/h5-8,16,19-20,24H,9-15H2,1-4H3/t19-,20-/m1/s1
InChIKeyNSTSPSRKIVPUOY-WOJBJXKFSA-N
MW394.51 g/mol
LogP1.50
Rot. Bonds10

About N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide

N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 99732768) has the molecular formula C21H34N2O5 and a molecular weight of 394.51 g/mol. Its IUPAC name is N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID99732768
Molecular FormulaC21H34N2O5
Molecular Weight394.51 g/mol
Exact Mass394.25
IUPAC NameN-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C[C@H]1CN(C[C@@H](O)C(C)C)CCO1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H34N2O5/c1-16(2)20(24)15-22-9-12-28-19(13-22)14-23(10-11-26-3)21(25)17-5-7-18(27-4)8-6-17/h5-8,16,19-20,24H,9-15H2,1-4H3/t19-,20-/m1/s1
InChIKeyNSTSPSRKIVPUOY-WOJBJXKFSA-N
XLogP1.50
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-4-[(2R)-2-hydroxybutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 92989417
N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 99731711
N-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862186
N-[[4-(2-hydroxy-3-piperidin-1-ylpropyl)morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 46060169
N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 99731560
N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 46060170
N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 100543008
N-[[4-(furan-3-ylmethyl)morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862046
N-[[(2S)-4-[(2S)-2-hydroxy-3-methoxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984293
N-[[4-(furan-2-ylmethyl)morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862045
N-[[4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46060172
N-[[(2S)-4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984280

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide (CID 99732768) is N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide is COCCN(C[C@H]1CN(C[C@@H](O)C(C)C)CCO1)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is NSTSPSRKIVPUOY-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H34N2O5/c1-16(2)20(24)15-22-9-12-28-19(13-22)14-23(10-11-26-3)21(25)17-5-7-18(27-4)8-6-17/h5-8,16,19-20,24H,9-15H2,1-4H3/t19-,20-/m1/s1.
What are the key properties of N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 394.51 g/mol, XLogP of 1.50, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 99732768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).