N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide

C22H23N3O3 — CID 17373653

IUPACN-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(N(CC)CC)ccc2cc1C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C22H23N3O3/c1-4-25(5-2)18-11-8-16-12-19(21(23)28-20(16)13-18)22(27)24-17-9-6-15(7-10-17)14(3)26/h6-13,23H,4-5H2,1-3H3,(H,24,27)/b23-21-
InChIKeyPNVKITURACLARO-LNVKXUELSA-N
MW377.44 g/mol
LogP4.21
Rot. Bonds6

About N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide

N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide (PubChem CID 17373653) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide
PubChem CID17373653
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(N(CC)CC)ccc2cc1C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C22H23N3O3/c1-4-25(5-2)18-11-8-16-12-19(21(23)28-20(16)13-18)22(27)24-17-9-6-15(7-10-17)14(3)26/h6-13,23H,4-5H2,1-3H3,(H,24,27)/b23-21-
InChIKeyPNVKITURACLARO-LNVKXUELSA-N
XLogP4.21
TPSA86.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(diethylamino)-2-imino-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]chromene-3-carboxamide
CID 19289141
propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate
CID 19289072
N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
CID 19574019
7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide
CID 40621529
ethyl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 19289096
N-(4-acetylphenyl)-2-imino-6-nitrochromene-3-carboxamide
CID 19574015
N-(4-cyanophenyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 5177672
7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide
CID 5134370
N-[3-cyano-5-(ethylcarbamoyl)-4-methylthiophen-2-yl]-7-(diethylamino)-2-iminochromene-3-carboxamide
CID 19289119
1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone
CID 22964612
7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 2968471
7-(diethylamino)-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide
CID 19289177

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide (CID 17373653) is N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide is [H]/N=c1\oc2cc(N(CC)CC)ccc2cc1C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide?
The InChIKey is PNVKITURACLARO-LNVKXUELSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-25(5-2)18-11-8-16-12-19(21(23)28-20(16)13-18)22(27)24-17-9-6-15(7-10-17)14(3)26/h6-13,23H,4-5H2,1-3H3,(H,24,27)/b23-21-.
What are the key properties of N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide?
N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide is sourced from PubChem (CID 17373653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).