N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide

C23H19NO5 — CID 90497338

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC(O)c3cccc4ccccc34)c(=O)oc12
InChIInChI=1S/C23H19NO5/c1-28-20-11-5-8-15-12-18(23(27)29-21(15)20)22(26)24-13-19(25)17-10-4-7-14-6-2-3-9-16(14)17/h2-12,19,25H,13H2,1H3,(H,24,26)
InChIKeyKVDIJBHIWFLRLT-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.42
Rot. Bonds5

About N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 90497338) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID90497338
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC(O)c3cccc4ccccc34)c(=O)oc12
InChIInChI=1S/C23H19NO5/c1-28-20-11-5-8-15-12-18(23(27)29-21(15)20)22(26)24-13-19(25)17-10-4-7-14-6-2-3-9-16(14)17/h2-12,19,25H,13H2,1H3,(H,24,26)
InChIKeyKVDIJBHIWFLRLT-UHFFFAOYSA-N
XLogP3.42
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95367182
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 71781600
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 90581507
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 90598012
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 39966511
N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 26795926
(2S)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]propanoic acid
CID 10493768
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide
CID 95367204
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methoxybenzamide
CID 95367144
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide
CID 56764104

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide (CID 90497338) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)NCC(O)c3cccc4ccccc34)c(=O)oc12.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is KVDIJBHIWFLRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-28-20-11-5-8-15-12-18(23(27)29-21(15)20)22(26)24-13-19(25)17-10-4-7-14-6-2-3-9-16(14)17/h2-12,19,25H,13H2,1H3,(H,24,26).
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 90497338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).