8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide

C22H18N2O3 — CID 19574031

IUPAC8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide
SMILES[H]/N=c1\oc2c(OCC)cccc2cc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H18N2O3/c1-2-26-19-12-6-9-15-13-17(21(23)27-20(15)19)22(25)24-18-11-5-8-14-7-3-4-10-16(14)18/h3-13,23H,2H2,1H3,(H,24,25)/b23-21-
InChIKeyVPYVXNNOBODGTJ-LNVKXUELSA-N
MW358.40 g/mol
LogP4.72
Rot. Bonds4

About 8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide

8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide (PubChem CID 19574031) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide
PubChem CID19574031
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide
SMILES[H]/N=c1\oc2c(OCC)cccc2cc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H18N2O3/c1-2-26-19-12-6-9-15-13-17(21(23)27-20(15)19)22(25)24-18-11-5-8-14-7-3-4-10-16(14)18/h3-13,23H,2H2,1H3,(H,24,25)/b23-21-
InChIKeyVPYVXNNOBODGTJ-LNVKXUELSA-N
XLogP4.72
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-ethoxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573961
N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide
CID 19573907
8-ethoxy-2-imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 19573973
7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 40888860
8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide
CID 40655174
propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 19289071
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
methyl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 17281923
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
8-hydroxy-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 19573969
5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4280863

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide?
The IUPAC name of 8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide (CID 19574031) is 8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide is [H]/N=c1\oc2c(OCC)cccc2cc1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide?
The InChIKey is VPYVXNNOBODGTJ-LNVKXUELSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-2-26-19-12-6-9-15-13-17(21(23)27-20(15)19)22(25)24-18-11-5-8-14-7-3-4-10-16(14)18/h3-13,23H,2H2,1H3,(H,24,25)/b23-21-.
What are the key properties of 8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide?
8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide is sourced from PubChem (CID 19574031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).