N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide

C19H30N2O3 — CID 86949487

IUPACN-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)N2CCOCC2CC(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-5-24-18-8-6-16(7-9-18)15(4)20-19(22)21-10-11-23-13-17(21)12-14(2)3/h6-9,14-15,17H,5,10-13H2,1-4H3,(H,20,22)
InChIKeyWKGNCPSNGCAMAE-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.60
Rot. Bonds6

About N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide

N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide (PubChem CID 86949487) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
PubChem CID86949487
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)N2CCOCC2CC(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-5-24-18-8-6-16(7-9-18)15(4)20-19(22)21-10-11-23-13-17(21)12-14(2)3/h6-9,14-15,17H,5,10-13H2,1-4H3,(H,20,22)
InChIKeyWKGNCPSNGCAMAE-UHFFFAOYSA-N
XLogP3.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 98871019
N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794682
N-[1-(furan-2-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 109499701
(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide
CID 95904886
2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 47016534
N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide
CID 138042149
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 95157068
(3S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 100907589
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 95100785
N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide
CID 17173548

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide (CID 86949487) is N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide is CCOc1ccc(C(C)NC(=O)N2CCOCC2CC(C)C)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The InChIKey is WKGNCPSNGCAMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-24-18-8-6-16(7-9-18)15(4)20-19(22)21-10-11-23-13-17(21)12-14(2)3/h6-9,14-15,17H,5,10-13H2,1-4H3,(H,20,22).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide is sourced from PubChem (CID 86949487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).