methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate

C15H19N3O4 — CID 71934793

IUPACmethyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
SMILESCOCCn1ccc2cc(NC(=O)CNC(=O)OC)ccc21
InChIInChI=1S/C15H19N3O4/c1-21-8-7-18-6-5-11-9-12(3-4-13(11)18)17-14(19)10-16-15(20)22-2/h3-6,9H,7-8,10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyZTQCQBJILUPMIL-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.58
Rot. Bonds6

About methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate

methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate (PubChem CID 71934793) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
PubChem CID71934793
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemethyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
SMILESCOCCn1ccc2cc(NC(=O)CNC(=O)OC)ccc21
InChIInChI=1S/C15H19N3O4/c1-21-8-7-18-6-5-11-9-12(3-4-13(11)18)17-14(19)10-16-15(20)22-2/h3-6,9H,7-8,10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyZTQCQBJILUPMIL-UHFFFAOYSA-N
XLogP1.58
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
CID 167911759
1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea
CID 56825864
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
CID 119235392
1-(2-methoxyethyl)-5-methylindole
CID 116622979
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
N-[1-(2-methoxyethyl)indol-5-yl]-4-methylpiperidine-1-carboxamide
CID 56825863
N-[1-(2-methoxyethyl)indol-5-yl]pyrazine-2-carboxamide
CID 51101814
N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 49499136
N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 51101816
1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea
CID 96518060
1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71992317

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate (CID 71934793) is methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate is COCCn1ccc2cc(NC(=O)CNC(=O)OC)ccc21.
What is the InChIKey of methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is ZTQCQBJILUPMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-21-8-7-18-6-5-11-9-12(3-4-13(11)18)17-14(19)10-16-15(20)22-2/h3-6,9H,7-8,10H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate?
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 305.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 71934793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).