2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide

C26H34N4O4 — CID 3513034

IUPAC2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCNC(=O)N(CCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1OC
InChIInChI=1S/C26H34N4O4/c1-4-27-26(32)30(15-16-33-2)19-25(31)29(18-21-9-5-8-12-24(21)34-3)14-13-20-17-28-23-11-7-6-10-22(20)23/h5-12,17,28H,4,13-16,18-19H2,1-3H3,(H,27,32)
InChIKeyJTMMWVLATYLYLT-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.43
Rot. Bonds12

About 2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 3513034) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID3513034
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCNC(=O)N(CCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1OC
InChIInChI=1S/C26H34N4O4/c1-4-27-26(32)30(15-16-33-2)19-25(31)29(18-21-9-5-8-12-24(21)34-3)14-13-20-17-28-23-11-7-6-10-22(20)23/h5-12,17,28H,4,13-16,18-19H2,1-3H3,(H,27,32)
InChIKeyJTMMWVLATYLYLT-UHFFFAOYSA-N
XLogP3.43
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 42772639
2-[(2-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 3422444
2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 3517804
2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772400
2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4205896
2-fluoro-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4033757
methyl 5-[butyl-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]amino]-5-oxopentanoate
CID 42778564
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42772115
N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide
CID 3462013
N-[2-[(3,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 42772287
N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 3703241
2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 3360723

Frequently Asked Questions

What is the IUPAC name of 2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 3513034) is 2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide is CCNC(=O)N(CCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1OC.
What is the InChIKey of 2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is JTMMWVLATYLYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-4-27-26(32)30(15-16-33-2)19-25(31)29(18-21-9-5-8-12-24(21)34-3)14-13-20-17-28-23-11-7-6-10-22(20)23/h5-12,17,28H,4,13-16,18-19H2,1-3H3,(H,27,32).
What are the key properties of 2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 466.58 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3513034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).