2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide

C20H30N2O3 — CID 48634964

IUPAC2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCC2CCCOC2c2ccccc2)CC(C)(C)O1
InChIInChI=1S/C20H30N2O3/c1-15-13-22(14-20(2,3)25-15)19(23)21-12-17-10-7-11-24-18(17)16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,7,10-14H2,1-3H3,(H,21,23)
InChIKeyRAJAQFBIADTEOU-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.36
Rot. Bonds3

About 2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide

2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 48634964) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide
PubChem CID48634964
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCC2CCCOC2c2ccccc2)CC(C)(C)O1
InChIInChI=1S/C20H30N2O3/c1-15-13-22(14-20(2,3)25-15)19(23)21-12-17-10-7-11-24-18(17)16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,7,10-14H2,1-3H3,(H,21,23)
InChIKeyRAJAQFBIADTEOU-UHFFFAOYSA-N
XLogP3.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide
CID 86869244
(6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 124612477
1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
methyl 1-[N'-methyl-N-[(2-phenyloxan-3-yl)methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111253811
1-ethylsulfonyl-N-[(2-phenyloxan-3-yl)methyl]piperidine-3-carboxamide
CID 47742934
1-tert-butyl-2-methyl-3-[(2-phenyloxan-3-yl)methyl]guanidine
CID 110967240
N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 122139331
1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea
CID 129398613
(2S,4S)-2-methyl-N-[(2-phenyloxan-3-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120624612
N-[[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 99812603
N'-methyl-3-morpholin-4-yl-N-[(2-phenyloxan-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111726608
(6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 95352082

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of 2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide (CID 48634964) is 2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for 2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide is CC1CN(C(=O)NCC2CCCOC2c2ccccc2)CC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is RAJAQFBIADTEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-13-22(14-20(2,3)25-15)19(23)21-12-17-10-7-11-24-18(17)16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,7,10-14H2,1-3H3,(H,21,23).
What are the key properties of 2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide?
2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 48634964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).