N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide

C18H23N3O2 — CID 72912790

IUPACN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C18H23N3O2/c1-20-11-9-19-17(20)8-5-10-21(2)18(22)15-12-14-6-3-4-7-16(14)23-13-15/h3-4,6-7,9,11,15H,5,8,10,12-13H2,1-2H3
InChIKeyWQUBNBYRLABIDB-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.06
Rot. Bonds5

About N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72912790) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72912790
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C18H23N3O2/c1-20-11-9-19-17(20)8-5-10-21(2)18(22)15-12-14-6-3-4-7-16(14)23-13-15/h3-4,6-7,9,11,15H,5,8,10,12-13H2,1-2H3
InChIKeyWQUBNBYRLABIDB-UHFFFAOYSA-N
XLogP2.06
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72912790) is N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide is CN(CCCc1nccn1C)C(=O)C1COc2ccccc2C1.
What is the InChIKey of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is WQUBNBYRLABIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20-11-9-19-17(20)8-5-10-21(2)18(22)15-12-14-6-3-4-7-16(14)23-13-15/h3-4,6-7,9,11,15H,5,8,10,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72912790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).