N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide

C22H24N2O2 — CID 877494

IUPACN-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide
SMILESCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C22H24N2O2/c1-4-20(26)23-22(16-9-12-17(13-10-16)24(2)3)21-18-8-6-5-7-15(18)11-14-19(21)25/h5-14,22,25H,4H2,1-3H3,(H,23,26)/t22-/m1/s1
InChIKeyWIIVTVUNBAATAJ-JOCHJYFZSA-N
MW348.45 g/mol
LogP4.23
Rot. Bonds5

About N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide

N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide (PubChem CID 877494) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide
PubChem CID877494
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide
SMILESCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C22H24N2O2/c1-4-20(26)23-22(16-9-12-17(13-10-16)24(2)3)21-18-8-6-5-7-15(18)11-14-19(21)25/h5-14,22,25H,4H2,1-3H3,(H,23,26)/t22-/m1/s1
InChIKeyWIIVTVUNBAATAJ-JOCHJYFZSA-N
XLogP4.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]butanamide
CID 2876947
N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968
3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one
CID 176729799
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
CID 101497401
2-chloro-N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]acetamide
CID 44556782
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-3-methylbutanamide
CID 1084523
N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 721381
N-[(S)-1,3-benzodioxol-5-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-methylbutanamide
CID 1084527

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide?
The IUPAC name of N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide (CID 877494) is N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide.
What is the SMILES notation for N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide?
The canonical SMILES for N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide is CCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide?
The InChIKey is WIIVTVUNBAATAJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-4-20(26)23-22(16-9-12-17(13-10-16)24(2)3)21-18-8-6-5-7-15(18)11-14-19(21)25/h5-14,22,25H,4H2,1-3H3,(H,23,26)/t22-/m1/s1.
What are the key properties of N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide?
N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide is sourced from PubChem (CID 877494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).