1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide

C27H30N4O4 — CID 167911759

IUPAC1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
SMILESCOCCn1ccc2cc(NC(=O)C3CC3C(=O)Nc3ccc4c(ccn4CCOC)c3)ccc21
InChIInChI=1S/C27H30N4O4/c1-34-13-11-30-9-7-18-15-20(3-5-24(18)30)28-26(32)22-17-23(22)27(33)29-21-4-6-25-19(16-21)8-10-31(25)12-14-35-2/h3-10,15-16,22-23H,11-14,17H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyFWYJDUKTQKRCBW-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.10
Rot. Bonds10

About 1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide

1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide (PubChem CID 167911759) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
PubChem CID167911759
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
SMILESCOCCn1ccc2cc(NC(=O)C3CC3C(=O)Nc3ccc4c(ccn4CCOC)c3)ccc21
InChIInChI=1S/C27H30N4O4/c1-34-13-11-30-9-7-18-15-20(3-5-24(18)30)28-26(32)22-17-23(22)27(33)29-21-4-6-25-19(16-21)8-10-31(25)12-14-35-2/h3-10,15-16,22-23H,11-14,17H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyFWYJDUKTQKRCBW-UHFFFAOYSA-N
XLogP4.10
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methoxyethyl)indol-5-yl]-4-methylpiperidine-1-carboxamide
CID 56825863
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
CID 71934793
1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea
CID 56825864
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea
CID 96518060
cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide
CID 96997581
N-[1-(2-methoxyethyl)indol-5-yl]pyrazine-2-carboxamide
CID 51101814
(2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641099
1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95572777
N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 51101816
1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71992317
1-(2-methoxyethyl)indol-5-ol
CID 138679498

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide (CID 167911759) is 1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide is COCCn1ccc2cc(NC(=O)C3CC3C(=O)Nc3ccc4c(ccn4CCOC)c3)ccc21.
What is the InChIKey of 1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide?
The InChIKey is FWYJDUKTQKRCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-34-13-11-30-9-7-18-15-20(3-5-24(18)30)28-26(32)22-17-23(22)27(33)29-21-4-6-25-19(16-21)8-10-31(25)12-14-35-2/h3-10,15-16,22-23H,11-14,17H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide?
1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide has a molecular weight of 474.56 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 167911759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).