N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

C17H18N2O3 — CID 72864457

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCn1cccc1C(=O)C(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C17H18N2O3/c1-19-8-4-6-14(19)16(20)17(21)18-10-12-9-13-5-2-3-7-15(13)22-11-12/h2-8,12H,9-11H2,1H3,(H,18,21)
InChIKeyJNRQQOYWXJCCHQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.58
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (PubChem CID 72864457) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
PubChem CID72864457
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCn1cccc1C(=O)C(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C17H18N2O3/c1-19-8-4-6-14(19)16(20)17(21)18-10-12-9-13-5-2-3-7-15(13)22-11-12/h2-8,12H,9-11H2,1H3,(H,18,21)
InChIKeyJNRQQOYWXJCCHQ-UHFFFAOYSA-N
XLogP1.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (CID 72864457) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is Cn1cccc1C(=O)C(=O)NCC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The InChIKey is JNRQQOYWXJCCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-19-8-4-6-14(19)16(20)17(21)18-10-12-9-13-5-2-3-7-15(13)22-11-12/h2-8,12H,9-11H2,1H3,(H,18,21).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide has a molecular weight of 298.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 72864457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).