3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

C28H30N4O3 — CID 24956532

IUPAC3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCOc1ccccc1C(C(=O)Nc1ccccc1)N(CCc1c[nH]c2ccccc12)C(=O)CCN
InChIInChI=1S/C28H30N4O3/c1-35-25-14-8-6-12-23(25)27(28(34)31-21-9-3-2-4-10-21)32(26(33)15-17-29)18-16-20-19-30-24-13-7-5-11-22(20)24/h2-14,19,27,30H,15-18,29H2,1H3,(H,31,34)
InChIKeyMDRWNZLYRYFHLH-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.28
Rot. Bonds10

About 3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 24956532) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID24956532
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCOc1ccccc1C(C(=O)Nc1ccccc1)N(CCc1c[nH]c2ccccc12)C(=O)CCN
InChIInChI=1S/C28H30N4O3/c1-35-25-14-8-6-12-23(25)27(28(34)31-21-9-3-2-4-10-21)32(26(33)15-17-29)18-16-20-19-30-24-13-7-5-11-22(20)24/h2-14,19,27,30H,15-18,29H2,1H3,(H,31,34)
InChIKeyMDRWNZLYRYFHLH-UHFFFAOYSA-N
XLogP4.28
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide
CID 4695262
(2S)-N-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide
CID 90661442
3-amino-N-[2-(benzylamino)-1-(4-bromophenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 24955457
3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054534
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 110733094
2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46591974
2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 143794395
ethyl N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 40830371
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
CID 22691562
N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 3703241
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 119955955
butanedioic acid;bis(N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine)
CID 175918021

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 24956532) is 3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide is COc1ccccc1C(C(=O)Nc1ccccc1)N(CCc1c[nH]c2ccccc12)C(=O)CCN.
What is the InChIKey of 3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is MDRWNZLYRYFHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-35-25-14-8-6-12-23(25)27(28(34)31-21-9-3-2-4-10-21)32(26(33)15-17-29)18-16-20-19-30-24-13-7-5-11-22(20)24/h2-14,19,27,30H,15-18,29H2,1H3,(H,31,34).
What are the key properties of 3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 470.57 g/mol, XLogP of 4.28, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 24956532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).