N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide

C22H23N2O2+ — CID 6949963

IUPACN-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2/c25-22(20-8-7-18-3-1-2-4-19(18)15-20)23-21-9-5-17(6-10-21)16-24-11-13-26-14-12-24/h1-10,15H,11-14,16H2,(H,23,25)/p+1
InChIKeySFGXIWSQLBGLGE-UHFFFAOYSA-O
MW347.44 g/mol
LogP2.51
Rot. Bonds4

About N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide

N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 6949963) has the molecular formula C22H23N2O2+ and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
PubChem CID6949963
Molecular FormulaC22H23N2O2+
Molecular Weight347.44 g/mol
Exact Mass347.18
IUPAC NameN-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2/c25-22(20-8-7-18-3-1-2-4-19(18)15-20)23-21-9-5-17(6-10-21)16-24-11-13-26-14-12-24/h1-10,15H,11-14,16H2,(H,23,25)/p+1
InChIKeySFGXIWSQLBGLGE-UHFFFAOYSA-O
XLogP2.51
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6949966
4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
CID 7500396
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7393123
N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 9046550
1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide
CID 7327969
4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide
CID 7372335
4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6958043
N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 6958040
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 9046668
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088
N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide
CID 7141196

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide (CID 6949963) is N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide is O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is SFGXIWSQLBGLGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H22N2O2/c25-22(20-8-7-18-3-1-2-4-19(18)15-20)23-21-9-5-17(6-10-21)16-24-11-13-26-14-12-24/h1-10,15H,11-14,16H2,(H,23,25)/p+1.
What are the key properties of N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide?
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 6949963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).