N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide

C26H43N3O5 — CID 92989608

IUPACN-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C[C@H](O)COCC(C)C)CCO2)cc1
InChIInChI=1S/C26H43N3O5/c1-21(2)19-33-20-24(30)16-28-12-15-34-25(17-28)18-29(9-8-27-10-13-32-14-11-27)26(31)23-6-4-22(3)5-7-23/h4-7,21,24-25,30H,8-20H2,1-3H3/t24-,25-/m0/s1
InChIKeyDWVHLKIHHDLWMW-DQEYMECFSA-N
MW477.65 g/mol
LogP1.50
Rot. Bonds12

About N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide

N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 92989608) has the molecular formula C26H43N3O5 and a molecular weight of 477.65 g/mol. Its IUPAC name is N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID92989608
Molecular FormulaC26H43N3O5
Molecular Weight477.65 g/mol
Exact Mass477.32
IUPAC NameN-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C[C@H](O)COCC(C)C)CCO2)cc1
InChIInChI=1S/C26H43N3O5/c1-21(2)19-33-20-24(30)16-28-12-15-34-25(17-28)18-29(9-8-27-10-13-32-14-11-27)26(31)23-6-4-22(3)5-7-23/h4-7,21,24-25,30H,8-20H2,1-3H3/t24-,25-/m0/s1
InChIKeyDWVHLKIHHDLWMW-DQEYMECFSA-N
XLogP1.50
TPSA74.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 92989592
N-[[4-(2-hydroxy-3-prop-2-enoxypropyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862348
4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92984239
4-fluoro-N-[[4-(2-hydroxypropyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862335
4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862340
N-[[4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46060172
N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42862483
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 100900073
N-[[4-[3-(4-chlorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 42862338
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 99731552
N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 99731711

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide (CID 92989608) is N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C[C@H](O)COCC(C)C)CCO2)cc1.
What is the InChIKey of N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is DWVHLKIHHDLWMW-DQEYMECFSA-N. The full InChI is InChI=1S/C26H43N3O5/c1-21(2)19-33-20-24(30)16-28-12-15-34-25(17-28)18-29(9-8-27-10-13-32-14-11-27)26(31)23-6-4-22(3)5-7-23/h4-7,21,24-25,30H,8-20H2,1-3H3/t24-,25-/m0/s1.
What are the key properties of N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 477.65 g/mol, XLogP of 1.50, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 92989608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).