3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide

C17H18N2O2 — CID 43709554

IUPAC3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCOc3ccccc32)cc1N
InChIInChI=1S/C17H18N2O2/c1-11-6-7-12(10-14(11)18)17(20)19-15-8-9-21-16-5-3-2-4-13(15)16/h2-7,10,15H,8-9,18H2,1H3,(H,19,20)
InChIKeyTYVZYWLLIGWWIN-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.83
Rot. Bonds2

About 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide

3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide (PubChem CID 43709554) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
PubChem CID43709554
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCOc3ccccc32)cc1N
InChIInChI=1S/C17H18N2O2/c1-11-6-7-12(10-14(11)18)17(20)19-15-8-9-21-16-5-3-2-4-13(15)16/h2-7,10,15H,8-9,18H2,1H3,(H,19,20)
InChIKeyTYVZYWLLIGWWIN-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methylbenzamide
CID 43697769
N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 17445598
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide (CID 43709554) is 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC2CCOc3ccccc32)cc1N.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide?
The InChIKey is TYVZYWLLIGWWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-6-7-12(10-14(11)18)17(20)19-15-8-9-21-16-5-3-2-4-13(15)16/h2-7,10,15H,8-9,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide?
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide has a molecular weight of 282.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide is sourced from PubChem (CID 43709554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).