ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate

C24H29N3O5 — CID 46445794

IUPACethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)NCC(c1cccc(OC)c1OC)c1c[nH]c2ccccc12
InChIInChI=1S/C24H29N3O5/c1-4-32-24(29)25-13-12-22(28)27-15-19(17-9-7-11-21(30-2)23(17)31-3)18-14-26-20-10-6-5-8-16(18)20/h5-11,14,19,26H,4,12-13,15H2,1-3H3,(H,25,29)(H,27,28)
InChIKeyCMBRZXCQYBFBGI-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.57
Rot. Bonds10

About ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate

ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate (PubChem CID 46445794) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate
PubChem CID46445794
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Nameethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)NCC(c1cccc(OC)c1OC)c1c[nH]c2ccccc12
InChIInChI=1S/C24H29N3O5/c1-4-32-24(29)25-13-12-22(28)27-15-19(17-9-7-11-21(30-2)23(17)31-3)18-14-26-20-10-6-5-8-16(18)20/h5-11,14,19,26H,4,12-13,15H2,1-3H3,(H,25,29)(H,27,28)
InChIKeyCMBRZXCQYBFBGI-UHFFFAOYSA-N
XLogP3.57
TPSA101.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]pentanamide
CID 43003960
4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119267144
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119681775
3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide
CID 43003981
2-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983696
methyl (2S)-2-[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]propanoate
CID 8645460
3-(4-bromophenyl)-3-(carbamoylamino)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide
CID 42953418
2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide
CID 55344788
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]cyclopentanecarboxamide
CID 51158225
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide
CID 60589031
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide
CID 55344874
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-2-methoxybenzamide
CID 55512740

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate?
The IUPAC name of ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate (CID 46445794) is ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate?
The canonical SMILES for ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate is CCOC(=O)NCCC(=O)NCC(c1cccc(OC)c1OC)c1c[nH]c2ccccc12.
What is the InChIKey of ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate?
The InChIKey is CMBRZXCQYBFBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-4-32-24(29)25-13-12-22(28)27-15-19(17-9-7-11-21(30-2)23(17)31-3)18-14-26-20-10-6-5-8-16(18)20/h5-11,14,19,26H,4,12-13,15H2,1-3H3,(H,25,29)(H,27,28).
What are the key properties of ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate?
ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate has a molecular weight of 439.51 g/mol, XLogP of 3.57, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 46445794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).