N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide

C21H19NO3 — CID 102482362

IUPACN-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NC(c1ccc(OC)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C21H19NO3/c1-3-19(24)22-21(15-8-11-16(25-2)12-9-15)20-17-7-5-4-6-14(17)10-13-18(20)23/h3-13,21,23H,1H2,2H3,(H,22,24)
InChIKeyAYBWCHSMQXYCKA-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.95
Rot. Bonds5

About N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide

N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 102482362) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide
PubChem CID102482362
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NC(c1ccc(OC)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C21H19NO3/c1-3-19(24)22-21(15-8-11-16(25-2)12-9-15)20-17-7-5-4-6-14(17)10-13-18(20)23/h3-13,21,23H,1H2,2H3,(H,22,24)
InChIKeyAYBWCHSMQXYCKA-UHFFFAOYSA-N
XLogP3.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
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
methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate
CID 155933400
1-[1-(4-methoxyphenyl)ethyl]naphthalen-2-ol
CID 101441341
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
[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
CID 101497401
N-[(R)-(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-3-methoxybenzamide
CID 1335808
N-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide
CID 139017490
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 19165242

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide (CID 102482362) is N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide is C=CC(=O)NC(c1ccc(OC)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is AYBWCHSMQXYCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-3-19(24)22-21(15-8-11-16(25-2)12-9-15)20-17-7-5-4-6-14(17)10-13-18(20)23/h3-13,21,23H,1H2,2H3,(H,22,24).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide?
N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 333.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 102482362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).