N-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide

C20H23N3O2 — CID 173315823

IUPACN-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide
SMILESCCCNN=Cc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C20H23N3O2/c1-2-11-21-22-14-15-5-7-16(8-6-15)20(24)23-18-9-10-19-17(13-18)4-3-12-25-19/h5-10,13-14,21H,2-4,11-12H2,1H3,(H,23,24)
InChIKeyWZOKJCMLCANVBQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.60
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide

N-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide (PubChem CID 173315823) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide
PubChem CID173315823
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide
SMILESCCCNN=Cc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C20H23N3O2/c1-2-11-21-22-14-15-5-7-16(8-6-15)20(24)23-18-9-10-19-17(13-18)4-3-12-25-19/h5-10,13-14,21H,2-4,11-12H2,1H3,(H,23,24)
InChIKeyWZOKJCMLCANVBQ-UHFFFAOYSA-N
XLogP3.60
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide
CID 110744167
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182
2-[6-[[4-[(butylhydrazinylidene)methyl]benzoyl]amino]-3,4-dihydro-2H-chromen-2-yl]acetic acid;hydrochloride
CID 142628889
N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxybenzamide
CID 38558658
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
CID 79466753
4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 102851182
N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
CID 115193294
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
CID 110748414

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide (CID 173315823) is N-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide is CCCNN=Cc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide?
The InChIKey is WZOKJCMLCANVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-11-21-22-14-15-5-7-16(8-6-15)20(24)23-18-9-10-19-17(13-18)4-3-12-25-19/h5-10,13-14,21H,2-4,11-12H2,1H3,(H,23,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide?
N-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 3.60, 6 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-yl)-4-[(propylhydrazinylidene)methyl]benzamide is sourced from PubChem (CID 173315823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).