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

C16H19N3O2 — CID 90651021

IUPACN-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCCn1ccnc1CNC(=O)C1CCc2ccccc2O1
InChIInChI=1S/C16H19N3O2/c1-2-19-10-9-17-15(19)11-18-16(20)14-8-7-12-5-3-4-6-13(12)21-14/h3-6,9-10,14H,2,7-8,11H2,1H3,(H,18,20)
InChIKeyMRDNGPQNSZBYRC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.91
Rot. Bonds4

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

N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 90651021) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID90651021
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCCn1ccnc1CNC(=O)C1CCc2ccccc2O1
InChIInChI=1S/C16H19N3O2/c1-2-19-10-9-17-15(19)11-18-16(20)14-8-7-12-5-3-4-6-13(12)21-14/h3-6,9-10,14H,2,7-8,11H2,1H3,(H,18,20)
InChIKeyMRDNGPQNSZBYRC-UHFFFAOYSA-N
XLogP1.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 90651021) is N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide is CCn1ccnc1CNC(=O)C1CCc2ccccc2O1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is MRDNGPQNSZBYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-19-10-9-17-15(19)11-18-16(20)14-8-7-12-5-3-4-6-13(12)21-14/h3-6,9-10,14H,2,7-8,11H2,1H3,(H,18,20).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 90651021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).