N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride

C18H29ClN2O3 — CID 119744122

IUPACN-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESCC(COc1ccc(C(C)(C)C)cc1)NC(=O)C1COCCN1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13(20-17(21)16-12-22-10-9-19-16)11-23-15-7-5-14(6-8-15)18(2,3)4;/h5-8,13,16,19H,9-12H2,1-4H3,(H,20,21);1H
InChIKeyRAVQLOGPHLHEON-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.28
Rot. Bonds5

About N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride

N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119744122) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride
PubChem CID119744122
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESCC(COc1ccc(C(C)(C)C)cc1)NC(=O)C1COCCN1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13(20-17(21)16-12-22-10-9-19-16)11-23-15-7-5-14(6-8-15)18(2,3)4;/h5-8,13,16,19H,9-12H2,1-4H3,(H,20,21);1H
InChIKeyRAVQLOGPHLHEON-UHFFFAOYSA-N
XLogP2.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[(2R)-1-aminopropan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 130674305
N-[(2R)-1-hydroxypropan-2-yl]morpholine-3-carboxamide
CID 107218691
N-(4-hydroxybutan-2-yl)morpholine-3-carboxamide
CID 83177558
N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride
CID 119860535
N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119796716
(2S,5R)-5-(aminomethyl)-N-[1-(4-tert-butylphenoxy)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120789351
(2R)-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-2-carboxamide
CID 103809635
(3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide
CID 124595367
N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119694151
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119740516
(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
CID 16681349

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride (CID 119744122) is N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride is CC(COc1ccc(C(C)(C)C)cc1)NC(=O)C1COCCN1.Cl.
What is the InChIKey of N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is RAVQLOGPHLHEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-13(20-17(21)16-12-22-10-9-19-16)11-23-15-7-5-14(6-8-15)18(2,3)4;/h5-8,13,16,19H,9-12H2,1-4H3,(H,20,21);1H.
What are the key properties of N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride?
N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119744122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).