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

C24H39N3O5 — CID 99731099

IUPACN-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide
SMILESCC[C@H](C)N(C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1ccccc1OC
InChIInChI=1S/C24H39N3O5/c1-4-19(2)27(24(29)22-7-5-6-8-23(22)30-3)18-21-17-26(11-14-32-21)16-20(28)15-25-9-12-31-13-10-25/h5-8,19-21,28H,4,9-18H2,1-3H3/t19-,20-,21-/m0/s1
InChIKeyXKCUQPYRAFOFMZ-ACRUOGEOSA-N
MW449.59 g/mol
LogP1.33
Rot. Bonds10

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

N-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide (PubChem CID 99731099) has the molecular formula C24H39N3O5 and a molecular weight of 449.59 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide
PubChem CID99731099
Molecular FormulaC24H39N3O5
Molecular Weight449.59 g/mol
Exact Mass449.29
IUPAC NameN-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide
SMILESCC[C@H](C)N(C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1ccccc1OC
InChIInChI=1S/C24H39N3O5/c1-4-19(2)27(24(29)22-7-5-6-8-23(22)30-3)18-21-17-26(11-14-32-21)16-20(28)15-25-9-12-31-13-10-25/h5-8,19-21,28H,4,9-18H2,1-3H3/t19-,20-,21-/m0/s1
InChIKeyXKCUQPYRAFOFMZ-ACRUOGEOSA-N
XLogP1.33
TPSA74.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.59
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-butan-2-yl]-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 99731101
N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42862225
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-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 99731711
N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 42859648
3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 99729601
[4-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 42862306
N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46060141
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 99729951
N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 92989507
[4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 42862313

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide (CID 99731099) is N-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide is CC[C@H](C)N(C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1ccccc1OC.
What is the InChIKey of N-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is XKCUQPYRAFOFMZ-ACRUOGEOSA-N. The full InChI is InChI=1S/C24H39N3O5/c1-4-19(2)27(24(29)22-7-5-6-8-23(22)30-3)18-21-17-26(11-14-32-21)16-20(28)15-25-9-12-31-13-10-25/h5-8,19-21,28H,4,9-18H2,1-3H3/t19-,20-,21-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide?
N-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 449.59 g/mol, XLogP of 1.33, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 99731099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).