N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide

C20H19N3O4 — CID 72922585

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide
SMILESO=C1CN(c2ccc(C(=O)NCc3ccc4c(c3)CCCO4)cc2)C(=O)N1
InChIInChI=1S/C20H19N3O4/c24-18-12-23(20(26)22-18)16-6-4-14(5-7-16)19(25)21-11-13-3-8-17-15(10-13)2-1-9-27-17/h3-8,10H,1-2,9,11-12H2,(H,21,25)(H,22,24,26)
InChIKeyVYFVIFKKBGLDMB-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.00
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide (PubChem CID 72922585) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide
PubChem CID72922585
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide
SMILESO=C1CN(c2ccc(C(=O)NCc3ccc4c(c3)CCCO4)cc2)C(=O)N1
InChIInChI=1S/C20H19N3O4/c24-18-12-23(20(26)22-18)16-6-4-14(5-7-16)19(25)21-11-13-3-8-17-15(10-13)2-1-9-27-17/h3-8,10H,1-2,9,11-12H2,(H,21,25)(H,22,24,26)
InChIKeyVYFVIFKKBGLDMB-UHFFFAOYSA-N
XLogP2.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27761306
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110787070
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18093380
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
CID 110787075
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
CID 110784247
4-(2,4-dioxoimidazolidin-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 74231577
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 170510996
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 46971082

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide (CID 72922585) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide is O=C1CN(c2ccc(C(=O)NCc3ccc4c(c3)CCCO4)cc2)C(=O)N1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide?
The InChIKey is VYFVIFKKBGLDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-18-12-23(20(26)22-18)16-6-4-14(5-7-16)19(25)21-11-13-3-8-17-15(10-13)2-1-9-27-17/h3-8,10H,1-2,9,11-12H2,(H,21,25)(H,22,24,26).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide has a molecular weight of 365.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 72922585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).