N-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide

C19H17N3O5 — CID 68710035

IUPACN-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide
SMILESCOc1cc(C(=O)c2c(C)c(NC(C)=O)c3ccccn23)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O5/c1-11-17(20-12(2)23)15-6-4-5-9-21(15)18(11)19(24)13-7-8-14(22(25)26)16(10-13)27-3/h4-10H,1-3H3,(H,20,23)
InChIKeySCFNZAODVHBXPN-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.35
Rot. Bonds5

About N-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide

N-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide (PubChem CID 68710035) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide
PubChem CID68710035
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC NameN-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide
SMILESCOc1cc(C(=O)c2c(C)c(NC(C)=O)c3ccccn23)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O5/c1-11-17(20-12(2)23)15-6-4-5-9-21(15)18(11)19(24)13-7-8-14(22(25)26)16(10-13)27-3/h4-10H,1-3H3,(H,20,23)
InChIKeySCFNZAODVHBXPN-UHFFFAOYSA-N
XLogP3.35
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]carbamic acid
CID 141077322
2-amino-5-[2-methyl-1-[(3,4,5-trimethoxybenzoyl)amino]indolizine-3-carbonyl]benzoic acid
CID 11785380
[7-amino-3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl] 2-phenylacetate
CID 151633631
3-(3-methoxy-4-nitrobenzoyl)-2-methyl-6-phenylmethoxyindolizine-1-carboxylic acid
CID 68849170
1-(3-methoxy-4-nitrophenyl)ethanone
CID 11679990
3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide
CID 68849141
(1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone
CID 69418644
1-(3-methoxy-4-nitrophenyl)-2-methylpropan-1-one
CID 83969059
[2-[(3-methoxy-4-nitrobenzoyl)amino]phenyl] 3-methoxy-4-nitrobenzoate
CID 22010896
2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide
CID 20994572
N-cyano-3-methoxy-4-nitrobenzamide
CID 104783612
4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene
CID 143994259

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide?
The IUPAC name of N-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide (CID 68710035) is N-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide.
What is the SMILES notation for N-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide?
The canonical SMILES for N-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide is COc1cc(C(=O)c2c(C)c(NC(C)=O)c3ccccn23)ccc1[N+](=O)[O-].
What is the InChIKey of N-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide?
The InChIKey is SCFNZAODVHBXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-11-17(20-12(2)23)15-6-4-5-9-21(15)18(11)19(24)13-7-8-14(22(25)26)16(10-13)27-3/h4-10H,1-3H3,(H,20,23).
What are the key properties of N-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide?
N-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide has a molecular weight of 367.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide is sourced from PubChem (CID 68710035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).