ethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate

C21H22N2O5 — CID 87544866

IUPACethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate
SMILESCCOC(=O)N(OC)c1ccc(C(=O)c2c(C)c(OC)c3ccccn23)cc1
InChIInChI=1S/C21H22N2O5/c1-5-28-21(25)23(27-4)16-11-9-15(10-12-16)19(24)18-14(2)20(26-3)17-8-6-7-13-22(17)18/h6-13H,5H2,1-4H3
InChIKeyYTPXXQKTDRFECK-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.01
Rot. Bonds6

About ethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate

ethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate (PubChem CID 87544866) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate
PubChem CID87544866
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Nameethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate
SMILESCCOC(=O)N(OC)c1ccc(C(=O)c2c(C)c(OC)c3ccccn23)cc1
InChIInChI=1S/C21H22N2O5/c1-5-28-21(25)23(27-4)16-11-9-15(10-12-16)19(24)18-14(2)20(26-3)17-8-6-7-13-22(17)18/h6-13H,5H2,1-4H3
InChIKeyYTPXXQKTDRFECK-UHFFFAOYSA-N
XLogP4.01
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate
CID 66653263
6-(1-methoxy-2-methylindolizine-3-carbonyl)-1-methylquinolin-4-one
CID 141434341
(1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone
CID 141181646
2-[[amino-(diaminomethylideneamino)methylidene]amino]-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoic acid
CID 168603275
2-(dibutylamino)-N-[2-methoxy-4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]ethanesulfonamide
CID 68706661
2-[(2-cyanoacetyl)amino]-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate
CID 168521711
methyl 2-amino-5-[1-(2-methoxyethoxy)-2-methylindolizine-3-carbonyl]benzoate
CID 66653176
ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate
CID 2387590
2-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoic acid
CID 168633349
(3-benzoyl-2-methylindolizin-1-yl)-dimethylsulfanium
CID 3578883
methyl 2-(1-benzoyl-2-methylindolizin-3-yl)-2-oxoacetate
CID 69122341
2-amino-3-(4-methoxybenzoyl)indolizine-1-carboxamide
CID 177255832

Frequently Asked Questions

What is the IUPAC name of ethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate?
The IUPAC name of ethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate (CID 87544866) is ethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate?
The canonical SMILES for ethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate is CCOC(=O)N(OC)c1ccc(C(=O)c2c(C)c(OC)c3ccccn23)cc1.
What is the InChIKey of ethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate?
The InChIKey is YTPXXQKTDRFECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-5-28-21(25)23(27-4)16-11-9-15(10-12-16)19(24)18-14(2)20(26-3)17-8-6-7-13-22(17)18/h6-13H,5H2,1-4H3.
What are the key properties of ethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate?
ethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate has a molecular weight of 382.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate is sourced from PubChem (CID 87544866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).