2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide

C19H22N2O3 — CID 75405540

IUPAC2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
SMILESCCC1CN(C(=O)Nc2cccc(Oc3ccccc3)c2)CCO1
InChIInChI=1S/C19H22N2O3/c1-2-16-14-21(11-12-23-16)19(22)20-15-7-6-10-18(13-15)24-17-8-4-3-5-9-17/h3-10,13,16H,2,11-12,14H2,1H3,(H,20,22)
InChIKeyMSNMKSNVRZFTBG-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.12
Rot. Bonds4

About 2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide

2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide (PubChem CID 75405540) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
PubChem CID75405540
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
SMILESCCC1CN(C(=O)Nc2cccc(Oc3ccccc3)c2)CCO1
InChIInChI=1S/C19H22N2O3/c1-2-16-14-21(11-12-23-16)19(22)20-15-7-6-10-18(13-15)24-17-8-4-3-5-9-17/h3-10,13,16H,2,11-12,14H2,1H3,(H,20,22)
InChIKeyMSNMKSNVRZFTBG-UHFFFAOYSA-N
XLogP4.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide
CID 46059378
3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 75503696
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
(2R)-2-ethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide
CID 124625433
4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 111424875
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
methyl 4-[[(2R)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 94878692
methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 95160013
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
CID 61337014
(2S)-2-ethyl-N-(6-methoxy-3-pyridinyl)morpholine-4-carboxamide
CID 97097741
(2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide
CID 164634604

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide?
The IUPAC name of 2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide (CID 75405540) is 2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide is CCC1CN(C(=O)Nc2cccc(Oc3ccccc3)c2)CCO1.
What is the InChIKey of 2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide?
The InChIKey is MSNMKSNVRZFTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-16-14-21(11-12-23-16)19(22)20-15-7-6-10-18(13-15)24-17-8-4-3-5-9-17/h3-10,13,16H,2,11-12,14H2,1H3,(H,20,22).
What are the key properties of 2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide?
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 75405540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).