(2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide

C33H41N5O3 — CID 71594860

IUPAC(2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2c(C)n(CCN(C)C)c3c(C)ccc(C)c23)cn1
InChIInChI=1S/C33H41N5O3/c1-22-13-14-23(2)32-31(22)27(24(3)38(32)18-17-36(4)5)20-29(39)35-28(19-25-11-9-8-10-12-25)33(40)37(6)26-15-16-30(41-7)34-21-26/h8-16,21,28H,17-20H2,1-7H3,(H,35,39)/t28-/m0/s1
InChIKeyLLISPBJQKXBWTA-NDEPHWFRSA-N
MW555.72 g/mol
LogP4.46
Rot. Bonds11

About (2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide

(2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide (PubChem CID 71594860) has the molecular formula C33H41N5O3 and a molecular weight of 555.72 g/mol. Its IUPAC name is (2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide
PubChem CID71594860
Molecular FormulaC33H41N5O3
Molecular Weight555.72 g/mol
Exact Mass555.32
IUPAC Name(2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2c(C)n(CCN(C)C)c3c(C)ccc(C)c23)cn1
InChIInChI=1S/C33H41N5O3/c1-22-13-14-23(2)32-31(22)27(24(3)38(32)18-17-36(4)5)20-29(39)35-28(19-25-11-9-8-10-12-25)33(40)37(6)26-15-16-30(41-7)34-21-26/h8-16,21,28H,17-20H2,1-7H3,(H,35,39)/t28-/m0/s1
InChIKeyLLISPBJQKXBWTA-NDEPHWFRSA-N
XLogP4.46
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.72
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide with MolForge

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Related Compounds

(2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide
CID 71594954
(2S)-2-[[2-[1-(4-methoxybutyl)-2-methylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide
CID 71595937
2-[[2-(2,4-dimethyl-3-pentylindol-1-yl)acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide
CID 123879724
N-(1,3-benzodioxol-5-yl)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 77451431
(2S)-2-[[2-(3-ethyl-4-iodoindazol-1-yl)acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide
CID 163868814
(2S)-2-[[2-[7-chloro-1-(2-hydroxyethyl)-2-methylindol-3-yl]acetyl]amino]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 71595539
(2S)-N-(3,4-dimethoxyphenyl)-2-[[2-(4,7-dimethylbenzimidazol-1-yl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 71595830
(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide
CID 71596203
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
(2S)-2-[3-[4-[3-[[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]piperazin-1-yl]propanoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 122647587
(E)-N,N'-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-methylpent-2-enediamide
CID 122647392
tert-butyl N-[2-[[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
CID 175242308

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide (CID 71594860) is (2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide is COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2c(C)n(CCN(C)C)c3c(C)ccc(C)c23)cn1.
What is the InChIKey of (2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide?
The InChIKey is LLISPBJQKXBWTA-NDEPHWFRSA-N. The full InChI is InChI=1S/C33H41N5O3/c1-22-13-14-23(2)32-31(22)27(24(3)38(32)18-17-36(4)5)20-29(39)35-28(19-25-11-9-8-10-12-25)33(40)37(6)26-15-16-30(41-7)34-21-26/h8-16,21,28H,17-20H2,1-7H3,(H,35,39)/t28-/m0/s1.
What are the key properties of (2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide?
(2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide has a molecular weight of 555.72 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[1-[2-(dimethylamino)ethyl]-2,4,7-trimethylindol-3-yl]acetyl]amino]-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 71594860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).