7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide

C23H27N3O2 — CID 40621529

IUPAC7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(N(CC)CC)ccc2cc1C(=O)N[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C23H27N3O2/c1-5-26(6-2)19-12-11-18-13-20(22(24)28-21(18)14-19)23(27)25-16(4)17-9-7-15(3)8-10-17/h7-14,16,24H,5-6H2,1-4H3,(H,25,27)/b24-22-/t16-/m0/s1
InChIKeyPLTAVOJKAYYWLR-DYYXWGBJSA-N
MW377.49 g/mol
LogP4.56
Rot. Bonds6

About 7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide

7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide (PubChem CID 40621529) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide
PubChem CID40621529
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(N(CC)CC)ccc2cc1C(=O)N[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C23H27N3O2/c1-5-26(6-2)19-12-11-18-13-20(22(24)28-21(18)14-19)23(27)25-16(4)17-9-7-15(3)8-10-17/h7-14,16,24H,5-6H2,1-4H3,(H,25,27)/b24-22-/t16-/m0/s1
InChIKeyPLTAVOJKAYYWLR-DYYXWGBJSA-N
XLogP4.56
TPSA69.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide
CID 19288940
N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide
CID 17373653
ethyl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 19289096
propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate
CID 19289072
N-[3-cyano-5-(ethylcarbamoyl)-4-methylthiophen-2-yl]-7-(diethylamino)-2-iminochromene-3-carboxamide
CID 19289119
7-(diethylamino)-2-imino-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]chromene-3-carboxamide
CID 19289141
2-[[7-(diethylamino)-2-iminochromen-3-yl]-(1,3-dioxoisoindol-2-yl)methylidene]propanedinitrile
CID 102054566
7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide
CID 5134370
ethyl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19572098
7-(diethylamino)-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide
CID 19289177
8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide
CID 40655174
1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone
CID 22964612

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide (CID 40621529) is 7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide is [H]/N=c1\oc2cc(N(CC)CC)ccc2cc1C(=O)N[C@@H](C)c1ccc(C)cc1.
What is the InChIKey of 7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide?
The InChIKey is PLTAVOJKAYYWLR-DYYXWGBJSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-5-26(6-2)19-12-11-18-13-20(22(24)28-21(18)14-19)23(27)25-16(4)17-9-7-15(3)8-10-17/h7-14,16,24H,5-6H2,1-4H3,(H,25,27)/b24-22-/t16-/m0/s1.
What are the key properties of 7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide?
7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide is sourced from PubChem (CID 40621529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).