N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide

C18H23N3O2 — CID 59397394

IUPACN-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide
SMILESCCCN(C(C)=O)c1ccc2c(c1)C(Cc1cnc[nH]1)CCO2
InChIInChI=1S/C18H23N3O2/c1-3-7-21(13(2)22)16-4-5-18-17(10-16)14(6-8-23-18)9-15-11-19-12-20-15/h4-5,10-12,14H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyWPYJISCCHUOOAJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.28
Rot. Bonds5

About N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide

N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide (PubChem CID 59397394) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide
PubChem CID59397394
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide
SMILESCCCN(C(C)=O)c1ccc2c(c1)C(Cc1cnc[nH]1)CCO2
InChIInChI=1S/C18H23N3O2/c1-3-7-21(13(2)22)16-4-5-18-17(10-16)14(6-8-23-18)9-15-11-19-12-20-15/h4-5,10-12,14H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyWPYJISCCHUOOAJ-UHFFFAOYSA-N
XLogP3.28
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide?
The IUPAC name of N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide (CID 59397394) is N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide.
What is the SMILES notation for N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide?
The canonical SMILES for N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide is CCCN(C(C)=O)c1ccc2c(c1)C(Cc1cnc[nH]1)CCO2.
What is the InChIKey of N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide?
The InChIKey is WPYJISCCHUOOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-7-21(13(2)22)16-4-5-18-17(10-16)14(6-8-23-18)9-15-11-19-12-20-15/h4-5,10-12,14H,3,6-9H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide?
N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide has a molecular weight of 313.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide is sourced from PubChem (CID 59397394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).