N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide

C15H19N5O3 — CID 72874132

IUPACN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide
SMILESCOc1cccc2c1OCC(CNC(=O)CCn1cnnn1)C2
InChIInChI=1S/C15H19N5O3/c1-22-13-4-2-3-12-7-11(9-23-15(12)13)8-16-14(21)5-6-20-10-17-18-19-20/h2-4,10-11H,5-9H2,1H3,(H,16,21)
InChIKeyCEWBJCQILSUBJD-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.44
Rot. Bonds6

About N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide

N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 72874132) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide
PubChem CID72874132
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide
SMILESCOc1cccc2c1OCC(CNC(=O)CCn1cnnn1)C2
InChIInChI=1S/C15H19N5O3/c1-22-13-4-2-3-12-7-11(9-23-15(12)13)8-16-14(21)5-6-20-10-17-18-19-20/h2-4,10-11H,5-9H2,1H3,(H,16,21)
InChIKeyCEWBJCQILSUBJD-UHFFFAOYSA-N
XLogP0.44
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide (CID 72874132) is N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide is COc1cccc2c1OCC(CNC(=O)CCn1cnnn1)C2.
What is the InChIKey of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is CEWBJCQILSUBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-22-13-4-2-3-12-7-11(9-23-15(12)13)8-16-14(21)5-6-20-10-17-18-19-20/h2-4,10-11H,5-9H2,1H3,(H,16,21).
What are the key properties of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide?
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 317.35 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 72874132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).