2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide

C22H23N2O2+ — CID 6951805

IUPAC2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide
SMILESO=C(C[NH+]1CCOCC1)N(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2/c25-22(17-23-12-14-26-15-13-23)24(20-8-2-1-3-9-20)21-11-10-18-6-4-5-7-19(18)16-21/h1-11,16H,12-15,17H2/p+1
InChIKeyCXULPDNDZRAYLH-UHFFFAOYSA-O
MW347.44 g/mol
LogP2.42
Rot. Bonds4

About 2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide

2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide (PubChem CID 6951805) has the molecular formula C22H23N2O2+ and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide.

Molecular Properties

Compound Name2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide
PubChem CID6951805
Molecular FormulaC22H23N2O2+
Molecular Weight347.44 g/mol
Exact Mass347.18
IUPAC Name2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide
SMILESO=C(C[NH+]1CCOCC1)N(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2/c25-22(17-23-12-14-26-15-13-23)24(20-8-2-1-3-9-20)21-11-10-18-6-4-5-7-19(18)16-21/h1-11,16H,12-15,17H2/p+1
InChIKeyCXULPDNDZRAYLH-UHFFFAOYSA-O
XLogP2.42
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-morpholin-4-ium-4-yl-N-phenyl-N-propan-2-ylacetamide
CID 2303532
N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide
CID 3251820
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide
CID 6951819
N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide
CID 7315724
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
CID 6957244
2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide
CID 3251814
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide
CID 8009424
N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide
CID 2697515
2-N,5-N-dinaphthalen-2-yl-2-N,5-N-diphenylfuran-2,5-diamine
CID 139844355
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-morpholin-4-ium-4-ylacetamide
CID 8903823
2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone
CID 6946390

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide?
The IUPAC name of 2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide (CID 6951805) is 2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide.
What is the SMILES notation for 2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide?
The canonical SMILES for 2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide is O=C(C[NH+]1CCOCC1)N(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide?
The InChIKey is CXULPDNDZRAYLH-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H22N2O2/c25-22(17-23-12-14-26-15-13-23)24(20-8-2-1-3-9-20)21-11-10-18-6-4-5-7-19(18)16-21/h1-11,16H,12-15,17H2/p+1.
What are the key properties of 2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide?
2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide has a molecular weight of 347.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide is sourced from PubChem (CID 6951805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).