N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide

C17H24N2O7 — CID 6723748

IUPACN-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H](CO)C(=O)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C17H24N2O7/c1-23-13-8-11(9-14(24-2)15(13)25-3)16(21)18-12(10-20)17(22)19-4-6-26-7-5-19/h8-9,12,20H,4-7,10H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeyMLUNPSSDNXVIEP-LBPRGKRZSA-N
MW368.39 g/mol
LogP-0.34
Rot. Bonds7

About N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide

N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 6723748) has the molecular formula C17H24N2O7 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID6723748
Molecular FormulaC17H24N2O7
Molecular Weight368.39 g/mol
Exact Mass368.16
IUPAC NameN-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H](CO)C(=O)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C17H24N2O7/c1-23-13-8-11(9-14(24-2)15(13)25-3)16(21)18-12(10-20)17(22)19-4-6-26-7-5-19/h8-9,12,20H,4-7,10H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeyMLUNPSSDNXVIEP-LBPRGKRZSA-N
XLogP-0.34
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide with MolForge

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Related Compounds

N-(3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3,4,5-trimethoxybenzamide
CID 4230551
N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 5142724
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 6724167
3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 42702287
N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 6723761
(2R)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 80748225
2-(2-methoxyphenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347257
3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 55715764
4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
CID 16772294
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
N-(1-amino-1-sulfanylidenebutan-2-yl)-3,4,5-trimethoxybenzamide
CID 61119501
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-pyridin-4-ylacetamide
CID 6724737

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide (CID 6723748) is N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N[C@@H](CO)C(=O)N2CCOCC2)cc(OC)c1OC.
What is the InChIKey of N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is MLUNPSSDNXVIEP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N2O7/c1-23-13-8-11(9-14(24-2)15(13)25-3)16(21)18-12(10-20)17(22)19-4-6-26-7-5-19/h8-9,12,20H,4-7,10H2,1-3H3,(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 368.39 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 6723748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).