2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide

C20H30N2O4 — CID 51118883

IUPAC2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(COCC3CCCCO3)c2)CC(C)O1
InChIInChI=1S/C20H30N2O4/c1-15-11-22(12-16(2)26-15)20(23)21-18-7-5-6-17(10-18)13-24-14-19-8-3-4-9-25-19/h5-7,10,15-16,19H,3-4,8-9,11-14H2,1-2H3,(H,21,23)
InChIKeyDATBYBHPODSGTQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.41
Rot. Bonds5

About 2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide

2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide (PubChem CID 51118883) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
PubChem CID51118883
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(COCC3CCCCO3)c2)CC(C)O1
InChIInChI=1S/C20H30N2O4/c1-15-11-22(12-16(2)26-15)20(23)21-18-7-5-6-17(10-18)13-24-14-19-8-3-4-9-25-19/h5-7,10,15-16,19H,3-4,8-9,11-14H2,1-2H3,(H,21,23)
InChIKeyDATBYBHPODSGTQ-UHFFFAOYSA-N
XLogP3.41
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
CID 96562652
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(2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide
CID 124855855
1-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-3-propan-2-ylthiourea
CID 94587170
N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 97011567
2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118828
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935210
1-[4-(4-methylpiperidin-1-yl)butyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea
CID 55820598
4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 47066120
N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide
CID 55913856
1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea
CID 95760194
ethyl 6-[4-[[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]carbamoyl]-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 52910104

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide (CID 51118883) is 2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide is CC1CN(C(=O)Nc2cccc(COCC3CCCCO3)c2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is DATBYBHPODSGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-15-11-22(12-16(2)26-15)20(23)21-18-7-5-6-17(10-18)13-24-14-19-8-3-4-9-25-19/h5-7,10,15-16,19H,3-4,8-9,11-14H2,1-2H3,(H,21,23).
What are the key properties of 2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide?
2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 51118883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).