N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide

C17H26N2O3 — CID 122141595

IUPACN-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide
SMILESCCC(C)(C)OCc1ccccc1NC(=O)N1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-4-17(2,3)22-13-14-7-5-6-8-15(14)18-16(20)19-9-11-21-12-10-19/h5-8H,4,9-13H2,1-3H3,(H,18,20)
InChIKeyKPQHZAFYNRXHLS-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide

N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide (PubChem CID 122141595) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide
PubChem CID122141595
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide
SMILESCCC(C)(C)OCc1ccccc1NC(=O)N1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-4-17(2,3)22-13-14-7-5-6-8-15(14)18-16(20)19-9-11-21-12-10-19/h5-8H,4,9-13H2,1-3H3,(H,18,20)
InChIKeyKPQHZAFYNRXHLS-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide
CID 23766051
tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 55698240
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
4-[2-(2-methylbutan-2-yloxymethyl)anilino]cyclohexane-1-carboxylic acid
CID 122032816
N-(2-fluoro-3-methylphenyl)morpholine-4-carboxamide
CID 166178432
methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate
CID 56997557
N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119440673
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate
CID 55536184
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide
CID 56824373
4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide
CID 51115588
N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide (CID 122141595) is N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide is CCC(C)(C)OCc1ccccc1NC(=O)N1CCOCC1.
What is the InChIKey of N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is KPQHZAFYNRXHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-17(2,3)22-13-14-7-5-6-8-15(14)18-16(20)19-9-11-21-12-10-19/h5-8H,4,9-13H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide?
N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 122141595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).