(2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide

C17H26N2O3 — CID 99824406

IUPAC(2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide
SMILESCC[C@@]1(C)CN(C(=O)NCc2cccc(COC)c2)CCO1
InChIInChI=1S/C17H26N2O3/c1-4-17(2)13-19(8-9-22-17)16(20)18-11-14-6-5-7-15(10-14)12-21-3/h5-7,10H,4,8-9,11-13H2,1-3H3,(H,18,20)/t17-/m0/s1
InChIKeyISTSQKKMZAYXCV-KRWDZBQOSA-N
MW306.41 g/mol
LogP2.54
Rot. Bonds5

About (2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide

(2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide (PubChem CID 99824406) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide
PubChem CID99824406
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide
SMILESCC[C@@]1(C)CN(C(=O)NCc2cccc(COC)c2)CCO1
InChIInChI=1S/C17H26N2O3/c1-4-17(2)13-19(8-9-22-17)16(20)18-11-14-6-5-7-15(10-14)12-21-3/h5-7,10H,4,8-9,11-13H2,1-3H3,(H,18,20)/t17-/m0/s1
InChIKeyISTSQKKMZAYXCV-KRWDZBQOSA-N
XLogP2.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethyl-2-methyl-N-[(4-nitrophenyl)methyl]morpholine-4-carboxamide
CID 99857598
(2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide
CID 99857591
N-[(3-butoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 87004150
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
(2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
CID 99825094
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
N-[(3-nitrophenyl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71916006
(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide
CID 51727918
(2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide
CID 97090709
N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 71969637
4-(1,3-benzoxazol-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 55798834
(2R)-2-ethyl-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylmorpholine-4-carboxamide
CID 99831196

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide (CID 99824406) is (2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide is CC[C@@]1(C)CN(C(=O)NCc2cccc(COC)c2)CCO1.
What is the InChIKey of (2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide?
The InChIKey is ISTSQKKMZAYXCV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-17(2)13-19(8-9-22-17)16(20)18-11-14-6-5-7-15(10-14)12-21-3/h5-7,10H,4,8-9,11-13H2,1-3H3,(H,18,20)/t17-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide?
(2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 99824406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).