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

C23H37N3O6 — CID 99731711

IUPACN-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C[C@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H37N3O6/c1-29-11-10-26(23(28)19-3-5-21(30-2)6-4-19)18-22-17-25(9-14-32-22)16-20(27)15-24-7-12-31-13-8-24/h3-6,20,22,27H,7-18H2,1-2H3/t20-,22+/m0/s1
InChIKeyBXIIEALCQKUWFL-RBBKRZOGSA-N
MW451.56 g/mol
LogP0.18
Rot. Bonds11

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

N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 99731711) has the molecular formula C23H37N3O6 and a molecular weight of 451.56 g/mol. Its IUPAC name is N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID99731711
Molecular FormulaC23H37N3O6
Molecular Weight451.56 g/mol
Exact Mass451.27
IUPAC NameN-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C[C@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H37N3O6/c1-29-11-10-26(23(28)19-3-5-21(30-2)6-4-19)18-22-17-25(9-14-32-22)16-20(27)15-24-7-12-31-13-8-24/h3-6,20,22,27H,7-18H2,1-2H3/t20-,22+/m0/s1
InChIKeyBXIIEALCQKUWFL-RBBKRZOGSA-N
XLogP0.18
TPSA83.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-hydroxybutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 92989417
N-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862186
N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 99732768
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-[[(2S)-4-[(2S)-2-hydroxy-3-methoxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984293
N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 92989507
N-[[4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46060172
N-[[4-(furan-3-ylmethyl)morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862046
N-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92989538
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-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide (CID 99731711) is N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide is COCCN(C[C@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is BXIIEALCQKUWFL-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H37N3O6/c1-29-11-10-26(23(28)19-3-5-21(30-2)6-4-19)18-22-17-25(9-14-32-22)16-20(27)15-24-7-12-31-13-8-24/h3-6,20,22,27H,7-18H2,1-2H3/t20-,22+/m0/s1.
What are the key properties of N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 451.56 g/mol, XLogP of 0.18, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 99731711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).