8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide

C20H20N2O3 — CID 40655174

IUPAC8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide
SMILES[H]/N=c1\oc2c(OCC)cccc2cc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-3-24-17-11-7-10-15-12-16(19(21)25-18(15)17)20(23)22-13(2)14-8-5-4-6-9-14/h4-13,21H,3H2,1-2H3,(H,22,23)/b21-19-/t13-/m1/s1
InChIKeyHYGPXKVIQVAETC-IUXHBZJFSA-N
MW336.39 g/mol
LogP3.80
Rot. Bonds5

About 8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide

8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide (PubChem CID 40655174) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide
PubChem CID40655174
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide
SMILES[H]/N=c1\oc2c(OCC)cccc2cc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-3-24-17-11-7-10-15-12-16(19(21)25-18(15)17)20(23)22-13(2)14-8-5-4-6-9-14/h4-13,21H,3H2,1-2H3,(H,22,23)/b21-19-/t13-/m1/s1
InChIKeyHYGPXKVIQVAETC-IUXHBZJFSA-N
XLogP3.80
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide
CID 19574031
8-ethoxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573961
8-ethoxy-2-imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 19573973
N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide
CID 19573907
propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 19289071
2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide
CID 19288940
5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide
CID 975653
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
methyl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 17281923
2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide
CID 25468831
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide?
The IUPAC name of 8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide (CID 40655174) is 8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide is [H]/N=c1\oc2c(OCC)cccc2cc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide?
The InChIKey is HYGPXKVIQVAETC-IUXHBZJFSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-24-17-11-7-10-15-12-16(19(21)25-18(15)17)20(23)22-13(2)14-8-5-4-6-9-14/h4-13,21H,3H2,1-2H3,(H,22,23)/b21-19-/t13-/m1/s1.
What are the key properties of 8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide?
8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.80, 5 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-[(1R)-1-phenylethyl]chromene-3-carboxamide is sourced from PubChem (CID 40655174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).