ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate

C27H34N4O4 — CID 42772435

IUPACethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate
SMILESCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(=O)NCC(=O)OCC
InChIInChI=1S/C27H34N4O4/c1-3-15-31(27(34)29-18-26(33)35-4-2)20-25(32)30(19-21-10-6-5-7-11-21)16-14-22-17-28-24-13-9-8-12-23(22)24/h5-13,17,28H,3-4,14-16,18-20H2,1-2H3,(H,29,34)
InChIKeyFOWITJBUAIKIKU-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.72
Rot. Bonds12

About ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate

ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate (PubChem CID 42772435) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate
PubChem CID42772435
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Nameethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate
SMILESCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(=O)NCC(=O)OCC
InChIInChI=1S/C27H34N4O4/c1-3-15-31(27(34)29-18-26(33)35-4-2)20-25(32)30(19-21-10-6-5-7-11-21)16-14-22-17-28-24-13-9-8-12-23(22)24/h5-13,17,28H,3-4,14-16,18-20H2,1-2H3,(H,29,34)
InChIKeyFOWITJBUAIKIKU-UHFFFAOYSA-N
XLogP3.72
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate with MolForge

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Related Compounds

N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4998732
2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4245533
ethyl 2-[[[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate
CID 4145201
2-[butylcarbamoyl(propyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 4620293
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butylpropanamide
CID 5096553
2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4205896
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3650559
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-methoxy-N-propylbenzamide
CID 5047738
4-bromo-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4145200
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butyl-3-phenylpropanamide
CID 4114319
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42772115
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate (CID 42772435) is ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate is CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate?
The InChIKey is FOWITJBUAIKIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-3-15-31(27(34)29-18-26(33)35-4-2)20-25(32)30(19-21-10-6-5-7-11-21)16-14-22-17-28-24-13-9-8-12-23(22)24/h5-13,17,28H,3-4,14-16,18-20H2,1-2H3,(H,29,34).
What are the key properties of ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate?
ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate has a molecular weight of 478.59 g/mol, XLogP of 3.72, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate is sourced from PubChem (CID 42772435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).