N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119707397

IUPACN-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1ccc(CNC(=O)C2COCCN2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(2,3)13-6-4-12(5-7-13)10-18-15(19)14-11-20-9-8-17-14;/h4-7,14,17H,8-11H2,1-3H3,(H,18,19);1H
InChIKeyOKTJJRHIOIQHDR-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.01
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride

N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119707397) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119707397
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1ccc(CNC(=O)C2COCCN2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(2,3)13-6-4-12(5-7-13)10-18-15(19)14-11-20-9-8-17-14;/h4-7,14,17H,8-11H2,1-3H3,(H,18,19);1H
InChIKeyOKTJJRHIOIQHDR-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119718110
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
N-[(4-propoxyphenyl)methyl]morpholine-3-carboxamide
CID 119714341
N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119808070
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119756162
N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide
CID 86780207
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 119876061
N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide
CID 119877252
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride (CID 119707397) is N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride is CC(C)(C)c1ccc(CNC(=O)C2COCCN2)cc1.Cl.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is OKTJJRHIOIQHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-16(2,3)13-6-4-12(5-7-13)10-18-15(19)14-11-20-9-8-17-14;/h4-7,14,17H,8-11H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119707397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).