N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide

C22H23NO3 — CID 877378

IUPACN-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1ccc([C@H](NC(=O)C(C)C)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C22H23NO3/c1-14(2)22(25)23-21(16-8-11-17(26-3)12-9-16)20-18-7-5-4-6-15(18)10-13-19(20)24/h4-14,21,24H,1-3H3,(H,23,25)/t21-/m0/s1
InChIKeyPVVXKVZDFCYHSG-NRFANRHFSA-N
MW349.43 g/mol
LogP4.42
Rot. Bonds5

About N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide

N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide (PubChem CID 877378) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
PubChem CID877378
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1ccc([C@H](NC(=O)C(C)C)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C22H23NO3/c1-14(2)22(25)23-21(16-8-11-17(26-3)12-9-16)20-18-7-5-4-6-15(18)10-13-19(20)24/h4-14,21,24H,1-3H3,(H,23,25)/t21-/m0/s1
InChIKeyPVVXKVZDFCYHSG-NRFANRHFSA-N
XLogP4.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.42
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-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide
CID 102482362
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 42954212
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
1-[1-(4-methoxyphenyl)ethyl]naphthalen-2-ol
CID 101441341
methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate
CID 155933400
N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
N-[(R)-(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-3-methoxybenzamide
CID 1335808
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 19165242
N-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 2920414

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide (CID 877378) is N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide is COc1ccc([C@H](NC(=O)C(C)C)c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide?
The InChIKey is PVVXKVZDFCYHSG-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23NO3/c1-14(2)22(25)23-21(16-8-11-17(26-3)12-9-16)20-18-7-5-4-6-15(18)10-13-19(20)24/h4-14,21,24H,1-3H3,(H,23,25)/t21-/m0/s1.
What are the key properties of N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide?
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide has a molecular weight of 349.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 877378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).