N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide

C18H21N3O3 — CID 74427165

IUPACN-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide
SMILESCCN(C(=O)COC)c1ccc2c(c1)C(=Cc1cnc[nH]1)CCO2
InChIInChI=1S/C18H21N3O3/c1-3-21(18(22)11-23-2)15-4-5-17-16(9-15)13(6-7-24-17)8-14-10-19-12-20-14/h4-5,8-10,12H,3,6-7,11H2,1-2H3,(H,19,20)
InChIKeyXHEFXXXEPNJOBJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.73
Rot. Bonds5

About N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide

N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide (PubChem CID 74427165) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide
PubChem CID74427165
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide
SMILESCCN(C(=O)COC)c1ccc2c(c1)C(=Cc1cnc[nH]1)CCO2
InChIInChI=1S/C18H21N3O3/c1-3-21(18(22)11-23-2)15-4-5-17-16(9-15)13(6-7-24-17)8-14-10-19-12-20-14/h4-5,8-10,12H,3,6-7,11H2,1-2H3,(H,19,20)
InChIKeyXHEFXXXEPNJOBJ-UHFFFAOYSA-N
XLogP2.73
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-benzyl-N-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]carbamate
CID 59397353
1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea
CID 74427200
methyl N-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-N-[4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-6-(methoxycarbonylamino)-2,3-dihydrochromen-8-yl]butyl]carbamate
CID 143737506
4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole
CID 59435415
methyl N-[(7E)-7-(1H-imidazol-5-ylmethylidene)-5,6-dihydrothieno[3,2-b]pyran-2-yl]carbamate
CID 25216414
3-methoxypropyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate
CID 59397310
N-[(1S,1aS,7bS)-1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]-N-ethylpropanamide
CID 58373645
N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide
CID 70229908
1-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydro-1H-quinolin-6-yl]butan-2-one
CID 58182972
N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]pyridine-3-carboxamide
CID 59397409
methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate
CID 59397399
2-[8-fluoro-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]acetaldehyde;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
CID 123205709

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide?
The IUPAC name of N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide (CID 74427165) is N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide.
What is the SMILES notation for N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide?
The canonical SMILES for N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide is CCN(C(=O)COC)c1ccc2c(c1)C(=Cc1cnc[nH]1)CCO2.
What is the InChIKey of N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide?
The InChIKey is XHEFXXXEPNJOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-21(18(22)11-23-2)15-4-5-17-16(9-15)13(6-7-24-17)8-14-10-19-12-20-14/h4-5,8-10,12H,3,6-7,11H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide?
N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide has a molecular weight of 327.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide is sourced from PubChem (CID 74427165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).