N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide

C22H22N2O2 — CID 851463

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H22N2O2/c25-22(21-7-3-5-18-4-1-2-6-20(18)21)23-19-10-8-17(9-11-19)16-24-12-14-26-15-13-24/h1-11H,12-16H2,(H,23,25)
InChIKeySPUJLFQDPYTEGW-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.92
Rot. Bonds4

About N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide

N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 851463) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
PubChem CID851463
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H22N2O2/c25-22(21-7-3-5-18-4-1-2-6-20(18)21)23-19-10-8-17(9-11-19)16-24-12-14-26-15-13-24/h1-11H,12-16H2,(H,23,25)
InChIKeySPUJLFQDPYTEGW-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 979219
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 108760742
3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide
CID 112797995
N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 3316137
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide
CID 58154511
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide (CID 851463) is N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is SPUJLFQDPYTEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-22(21-7-3-5-18-4-1-2-6-20(18)21)23-19-10-8-17(9-11-19)16-24-12-14-26-15-13-24/h1-11H,12-16H2,(H,23,25).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide?
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 851463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).