N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide

C21H32N2O4 — CID 46536372

IUPACN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide
SMILESCC(C)CN1CCOC(CNC(=O)c2ccccc2OCC2CCCO2)C1
InChIInChI=1S/C21H32N2O4/c1-16(2)13-23-9-11-26-18(14-23)12-22-21(24)19-7-3-4-8-20(19)27-15-17-6-5-10-25-17/h3-4,7-8,16-18H,5-6,9-15H2,1-2H3,(H,22,24)
InChIKeyQXKBEXUPXBMECN-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.33
Rot. Bonds8

About N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide (PubChem CID 46536372) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide
PubChem CID46536372
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide
SMILESCC(C)CN1CCOC(CNC(=O)c2ccccc2OCC2CCCO2)C1
InChIInChI=1S/C21H32N2O4/c1-16(2)13-23-9-11-26-18(14-23)12-22-21(24)19-7-3-4-8-20(19)27-15-17-6-5-10-25-17/h3-4,7-8,16-18H,5-6,9-15H2,1-2H3,(H,22,24)
InChIKeyQXKBEXUPXBMECN-UHFFFAOYSA-N
XLogP2.33
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 30538422
1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 60547093
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 43034954
4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
CID 129368185
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4945492
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 30687716
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9206549
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid
CID 125152132

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide (CID 46536372) is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide is CC(C)CN1CCOC(CNC(=O)c2ccccc2OCC2CCCO2)C1.
What is the InChIKey of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is QXKBEXUPXBMECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-16(2)13-23-9-11-26-18(14-23)12-22-21(24)19-7-3-4-8-20(19)27-15-17-6-5-10-25-17/h3-4,7-8,16-18H,5-6,9-15H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide?
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 376.50 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 46536372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).