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

C30H38N4O4 — CID 69321018

IUPACN-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]morpholine-2-carboxamide
SMILESCC(=O)CCCCC[C@H](NC(=O)C1CNCCO1)C(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C30H38N4O4/c1-21(35)10-4-2-7-15-26(34-30(37)27-20-31-18-19-38-27)29(36)32-17-16-24-23-13-8-9-14-25(23)33-28(24)22-11-5-3-6-12-22/h3,5-6,8-9,11-14,26-27,31,33H,2,4,7,10,15-20H2,1H3,(H,32,36)(H,34,37)/t26-,27?/m0/s1
InChIKeyLEOLCPHIZCWTTJ-QBHOUYDASA-N
MW518.66 g/mol
LogP3.51
Rot. Bonds13

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

N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]morpholine-2-carboxamide (PubChem CID 69321018) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]morpholine-2-carboxamide
PubChem CID69321018
Molecular FormulaC30H38N4O4
Molecular Weight518.66 g/mol
Exact Mass518.29
IUPAC NameN-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]morpholine-2-carboxamide
SMILESCC(=O)CCCCC[C@H](NC(=O)C1CNCCO1)C(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C30H38N4O4/c1-21(35)10-4-2-7-15-26(34-30(37)27-20-31-18-19-38-27)29(36)32-17-16-24-23-13-8-9-14-25(23)33-28(24)22-11-5-3-6-12-22/h3,5-6,8-9,11-14,26-27,31,33H,2,4,7,10,15-20H2,1H3,(H,32,36)(H,34,37)/t26-,27?/m0/s1
InChIKeyLEOLCPHIZCWTTJ-QBHOUYDASA-N
XLogP3.51
TPSA112.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.66
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]azetidine-2-carboxamide
CID 140528434
(2S)-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]-2-(3-phenylprop-2-enoylamino)nonanamide
CID 69319358
N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 69320836
N-[1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-6-phenylpiperidine-2-carboxamide
CID 69327864
(2S)-2-[(2-methylsulfonylacetyl)amino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 11584498
(2S)-2-[[2-(furan-2-yl)-2-oxoacetyl]amino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 69320738
(2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 69321419
(2S)-2-[3-(1-methylpyrazol-4-yl)propanoylamino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 69320419
N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-oxo-4H-triazole-1-carboxamide
CID 69318856
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
N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]quinoline-5-carboxamide
CID 69319567
5-bromo-N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]pyridine-3-carboxamide
CID 69321024

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]morpholine-2-carboxamide?
The IUPAC name of N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]morpholine-2-carboxamide (CID 69321018) is N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]morpholine-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]morpholine-2-carboxamide?
The canonical SMILES for N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]morpholine-2-carboxamide is CC(=O)CCCCC[C@H](NC(=O)C1CNCCO1)C(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]morpholine-2-carboxamide?
The InChIKey is LEOLCPHIZCWTTJ-QBHOUYDASA-N. The full InChI is InChI=1S/C30H38N4O4/c1-21(35)10-4-2-7-15-26(34-30(37)27-20-31-18-19-38-27)29(36)32-17-16-24-23-13-8-9-14-25(23)33-28(24)22-11-5-3-6-12-22/h3,5-6,8-9,11-14,26-27,31,33H,2,4,7,10,15-20H2,1H3,(H,32,36)(H,34,37)/t26-,27?/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]morpholine-2-carboxamide?
N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]morpholine-2-carboxamide has a molecular weight of 518.66 g/mol, XLogP of 3.51, 13 rotatable bonds, 4 hydrogen bond donors, and 5 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]morpholine-2-carboxamide is sourced from PubChem (CID 69321018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).