N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide

C18H28N2O3 — CID 119812339

IUPACN-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
SMILESCCOc1ccccc1C(CC(C)C)NC(=O)C1CNCCO1
InChIInChI=1S/C18H28N2O3/c1-4-22-16-8-6-5-7-14(16)15(11-13(2)3)20-18(21)17-12-19-9-10-23-17/h5-8,13,15,17,19H,4,9-12H2,1-3H3,(H,20,21)
InChIKeyGKYHYWSMTDYTQB-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.28
Rot. Bonds7

About N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide

N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide (PubChem CID 119812339) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
PubChem CID119812339
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
SMILESCCOc1ccccc1C(CC(C)C)NC(=O)C1CNCCO1
InChIInChI=1S/C18H28N2O3/c1-4-22-16-8-6-5-7-14(16)15(11-13(2)3)20-18(21)17-12-19-9-10-23-17/h5-8,13,15,17,19H,4,9-12H2,1-3H3,(H,20,21)
InChIKeyGKYHYWSMTDYTQB-UHFFFAOYSA-N
XLogP2.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
CID 119816799
N-[1-(2-ethoxyphenyl)propyl]morpholine-2-carboxamide
CID 119721402
N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119784414
N-[2-methyl-1-(2-methylphenyl)propyl]morpholine-2-carboxamide
CID 119782789
N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide
CID 119342940
N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
CID 146426620
N-[1-(2-methylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686063
N-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 129393193
(2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide
CID 120796178
N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119796312
N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide
CID 107222342
N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride
CID 119855874

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide?
The IUPAC name of N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide (CID 119812339) is N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide?
The canonical SMILES for N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide is CCOc1ccccc1C(CC(C)C)NC(=O)C1CNCCO1.
What is the InChIKey of N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide?
The InChIKey is GKYHYWSMTDYTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-22-16-8-6-5-7-14(16)15(11-13(2)3)20-18(21)17-12-19-9-10-23-17/h5-8,13,15,17,19H,4,9-12H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide?
N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide is sourced from PubChem (CID 119812339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).