N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride

C15H23ClN2O2 — CID 119399897

IUPACN-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1ccccc1NC(=O)C1COCCN1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-15(2,3)11-6-4-5-7-12(11)17-14(18)13-10-19-9-8-16-13;/h4-7,13,16H,8-10H2,1-3H3,(H,17,18);1H
InChIKeyUVVFCBNCHNNSPE-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.33
Rot. Bonds2

About N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride

N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride (PubChem CID 119399897) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride
PubChem CID119399897
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1ccccc1NC(=O)C1COCCN1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-15(2,3)11-6-4-5-7-12(11)17-14(18)13-10-19-9-8-16-13;/h4-7,13,16H,8-10H2,1-3H3,(H,17,18);1H
InChIKeyUVVFCBNCHNNSPE-UHFFFAOYSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide
CID 96998659
N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 119709153
(2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119399894
N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide
CID 82905917
N-(2-methyl-3-pyridinyl)morpholine-3-carboxamide
CID 79043286
N-(4,5-dimethoxy-2-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119679081
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-(1-benzothiophen-3-yl)morpholine-3-carboxamide
CID 115177568
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-(4-phenoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 75422319
N-(2-bromo-5-methylphenyl)morpholine-3-carboxamide
CID 82757225
N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119759053

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride (CID 119399897) is N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride is CC(C)(C)c1ccccc1NC(=O)C1COCCN1.Cl.
What is the InChIKey of N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is UVVFCBNCHNNSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-15(2,3)11-6-4-5-7-12(11)17-14(18)13-10-19-9-8-16-13;/h4-7,13,16H,8-10H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride?
N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119399897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).