N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide

C13H14N2O3 — CID 169203013

IUPACN-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide
SMILESCOc1ccn2ccc(C(=O)CNC(C)=O)c2c1
InChIInChI=1S/C13H14N2O3/c1-9(16)14-8-13(17)11-4-6-15-5-3-10(18-2)7-12(11)15/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyNWPJUSKQWBPARL-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.27
Rot. Bonds4

About N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide

N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide (PubChem CID 169203013) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide
PubChem CID169203013
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide
SMILESCOc1ccn2ccc(C(=O)CNC(C)=O)c2c1
InChIInChI=1S/C13H14N2O3/c1-9(16)14-8-13(17)11-4-6-15-5-3-10(18-2)7-12(11)15/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyNWPJUSKQWBPARL-UHFFFAOYSA-N
XLogP1.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide
CID 44541672
(2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide
CID 169203354
N-[2-(2-methoxyphenyl)-2-oxoethyl]acetamide
CID 12945637
2-amino-1-(6-methoxyindolizin-1-yl)ethanone
CID 169203261
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876
N-[(4-methoxy-2-pyridinyl)methyl]acetamide
CID 121378949
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
1-(1-acetyl-7-methoxyindolizin-3-yl)-3,3-dimethylbutan-1-one
CID 165377814
N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide
CID 125304874
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 155944475

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide (CID 169203013) is N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide is COc1ccn2ccc(C(=O)CNC(C)=O)c2c1.
What is the InChIKey of N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is NWPJUSKQWBPARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9(16)14-8-13(17)11-4-6-15-5-3-10(18-2)7-12(11)15/h3-7H,8H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide?
N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 246.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 169203013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).