[10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate

C25H25N3O5 — CID 66667347

IUPAC[10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
SMILESCCOc1ccc(COc2cc(OC(=O)N(C)C)cc3c2c(C(N)=O)c2ccccn23)cc1
InChIInChI=1S/C25H25N3O5/c1-4-31-17-10-8-16(9-11-17)15-32-21-14-18(33-25(30)27(2)3)13-20-22(21)23(24(26)29)19-7-5-6-12-28(19)20/h5-14H,4,15H2,1-3H3,(H2,26,29)
InChIKeyHNCPCIHUKIOWLX-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.23
Rot. Bonds7

About [10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate

[10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate (PubChem CID 66667347) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is [10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
PubChem CID66667347
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name[10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
SMILESCCOc1ccc(COc2cc(OC(=O)N(C)C)cc3c2c(C(N)=O)c2ccccn23)cc1
InChIInChI=1S/C25H25N3O5/c1-4-31-17-10-8-16(9-11-17)15-32-21-14-18(33-25(30)27(2)3)13-20-22(21)23(24(26)29)19-7-5-6-12-28(19)20/h5-14H,4,15H2,1-3H3,(H2,26,29)
InChIKeyHNCPCIHUKIOWLX-UHFFFAOYSA-N
XLogP4.23
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate with MolForge

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Related Compounds

[10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
CID 66667679
(10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate
CID 56645538
3-(dimethylcarbamoyloxy)-1-[2-(4-propan-2-yloxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carboxylic acid
CID 66667788
methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate
CID 66668012
1-[2-(6-ethoxy-3-pyridinyl)ethoxy]pyrido[1,2-a]indole-10-carboxamide
CID 173006260
prop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate
CID 21337195
(4-ethoxyphenyl)methyl benzoate
CID 91595481
benzamide;1,4-diethoxybenzene
CID 162120306
ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56644234
methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 66666855
ethyl 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3559256
ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56645067

Frequently Asked Questions

What is the IUPAC name of [10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate?
The IUPAC name of [10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate (CID 66667347) is [10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate?
The canonical SMILES for [10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate is CCOc1ccc(COc2cc(OC(=O)N(C)C)cc3c2c(C(N)=O)c2ccccn23)cc1.
What is the InChIKey of [10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate?
The InChIKey is HNCPCIHUKIOWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-4-31-17-10-8-16(9-11-17)15-32-21-14-18(33-25(30)27(2)3)13-20-22(21)23(24(26)29)19-7-5-6-12-28(19)20/h5-14H,4,15H2,1-3H3,(H2,26,29).
What are the key properties of [10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate?
[10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate has a molecular weight of 447.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 66667347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).