N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide

C15H19NO3 — CID 87797894

IUPACN-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide
SMILESCCCC(=O)NCC1=c2ccc(OC)cc2=COC1
InChIInChI=1S/C15H19NO3/c1-3-4-15(17)16-8-12-10-19-9-11-7-13(18-2)5-6-14(11)12/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,17)
InChIKeyORZFNHRBFGAONM-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.53
Rot. Bonds5

About N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide

N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide (PubChem CID 87797894) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide
PubChem CID87797894
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide
SMILESCCCC(=O)NCC1=c2ccc(OC)cc2=COC1
InChIInChI=1S/C15H19NO3/c1-3-4-15(17)16-8-12-10-19-9-11-7-13(18-2)5-6-14(11)12/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,17)
InChIKeyORZFNHRBFGAONM-UHFFFAOYSA-N
XLogP0.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide?
The IUPAC name of N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide (CID 87797894) is N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide.
What is the SMILES notation for N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide?
The canonical SMILES for N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide is CCCC(=O)NCC1=c2ccc(OC)cc2=COC1.
What is the InChIKey of N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide?
The InChIKey is ORZFNHRBFGAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-4-15(17)16-8-12-10-19-9-11-7-13(18-2)5-6-14(11)12/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,17).
What are the key properties of N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide?
N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide has a molecular weight of 261.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide is sourced from PubChem (CID 87797894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).