N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide

C35H38N4O4 — CID 69323418

IUPACN-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc3c(-c4ccccc4)[nH]c4ccccc34)cc2c1
InChIInChI=1S/C35H38N4O4/c1-23(40)11-5-3-8-16-31(39-35(42)32-22-25-21-26(43-2)17-18-29(25)37-32)34(41)36-20-19-28-27-14-9-10-15-30(27)38-33(28)24-12-6-4-7-13-24/h4,6-7,9-10,12-15,17-18,21-22,31,37-38H,3,5,8,11,16,19-20H2,1-2H3,(H,36,41)(H,39,42)/t31-/m0/s1
InChIKeyPUABWPYVWFIONE-HKBQPEDESA-N
MW578.71 g/mol
LogP6.32
Rot. Bonds14

About N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide

N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 69323418) has the molecular formula C35H38N4O4 and a molecular weight of 578.71 g/mol. Its IUPAC name is N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide
PubChem CID69323418
Molecular FormulaC35H38N4O4
Molecular Weight578.71 g/mol
Exact Mass578.29
IUPAC NameN-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc3c(-c4ccccc4)[nH]c4ccccc34)cc2c1
InChIInChI=1S/C35H38N4O4/c1-23(40)11-5-3-8-16-31(39-35(42)32-22-25-21-26(43-2)17-18-29(25)37-32)34(41)36-20-19-28-27-14-9-10-15-30(27)38-33(28)24-12-6-4-7-13-24/h4,6-7,9-10,12-15,17-18,21-22,31,37-38H,3,5,8,11,16,19-20H2,1-2H3,(H,36,41)(H,39,42)/t31-/m0/s1
InChIKeyPUABWPYVWFIONE-HKBQPEDESA-N
XLogP6.32
TPSA116.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.71
LogP ≤ 56.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]thiophene-2-carboxamide
CID 69323102
(2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 69319086
(2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 69321419
(2S)-2-[(2-methylsulfonylacetyl)amino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 11584498
(2S)-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]-2-(3-phenylprop-2-enoylamino)nonanamide
CID 69319358
(2S)-2-[3-(diethylamino)propanoylamino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 69319135
5-bromo-N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]pyridine-3-carboxamide
CID 69321024
N-[1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 69328273
(2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 69323403
N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]quinoline-5-carboxamide
CID 69319567
N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]azetidine-2-carboxamide
CID 140528434
N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 69322979

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide (CID 69323418) is N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc3c(-c4ccccc4)[nH]c4ccccc34)cc2c1.
What is the InChIKey of N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is PUABWPYVWFIONE-HKBQPEDESA-N. The full InChI is InChI=1S/C35H38N4O4/c1-23(40)11-5-3-8-16-31(39-35(42)32-22-25-21-26(43-2)17-18-29(25)37-32)34(41)36-20-19-28-27-14-9-10-15-30(27)38-33(28)24-12-6-4-7-13-24/h4,6-7,9-10,12-15,17-18,21-22,31,37-38H,3,5,8,11,16,19-20H2,1-2H3,(H,36,41)(H,39,42)/t31-/m0/s1.
What are the key properties of N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide?
N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 578.71 g/mol, XLogP of 6.32, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 69323418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).