N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

C32H39N5O4 — CID 91072065

IUPACN-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
SMILESCCC1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1CNC(=O)C(NC(=O)c1cc2ccccc2[nH]1)C(C)(C)C
InChIInChI=1S/C32H39N5O4/c1-6-19-13-14-37(31(40)26-17-21-15-22(41-5)11-12-24(21)35-26)27(19)18-33-30(39)28(32(2,3)4)36-29(38)25-16-20-9-7-8-10-23(20)34-25/h7-12,15-17,19,27-28,34-35H,6,13-14,18H2,1-5H3,(H,33,39)(H,36,38)
InChIKeyGYNBWEZHLLBRSG-UHFFFAOYSA-N
MW557.70 g/mol
LogP4.86
Rot. Bonds8

About N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (PubChem CID 91072065) has the molecular formula C32H39N5O4 and a molecular weight of 557.70 g/mol. Its IUPAC name is N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
PubChem CID91072065
Molecular FormulaC32H39N5O4
Molecular Weight557.70 g/mol
Exact Mass557.30
IUPAC NameN-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
SMILESCCC1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1CNC(=O)C(NC(=O)c1cc2ccccc2[nH]1)C(C)(C)C
InChIInChI=1S/C32H39N5O4/c1-6-19-13-14-37(31(40)26-17-21-15-22(41-5)11-12-24(21)35-26)27(19)18-33-30(39)28(32(2,3)4)36-29(38)25-16-20-9-7-8-10-23(20)34-25/h7-12,15-17,19,27-28,34-35H,6,13-14,18H2,1-5H3,(H,33,39)(H,36,38)
InChIKeyGYNBWEZHLLBRSG-UHFFFAOYSA-N
XLogP4.86
TPSA119.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.70
LogP ≤ 54.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[(1R)-2-(1H-indole-2-carbonyl)-2,7-diazabicyclo[4.2.0]octan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 70232292
N-[(2S)-1-[[(5R)-3-(1H-indole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 143931493
N-[(2S)-1-[[(2S)-1-(1H-benzimidazole-2-carbonyl)piperidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide
CID 70233678
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide
CID 155964509
tert-butyl 5-[(2S)-2-(1H-indole-2-carbonylamino)-3,3-dimethylbutanoyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 67380260
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 97496283
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 125402338
N-[(2S)-1-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 53340536
N-[(2R,3S)-1-(5-methoxy-1H-indole-2-carbonyl)-2-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 166396950
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
CID 6926471
tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 96548725

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (CID 91072065) is N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is CCC1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1CNC(=O)C(NC(=O)c1cc2ccccc2[nH]1)C(C)(C)C.
What is the InChIKey of N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is GYNBWEZHLLBRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O4/c1-6-19-13-14-37(31(40)26-17-21-15-22(41-5)11-12-24(21)35-26)27(19)18-33-30(39)28(32(2,3)4)36-29(38)25-16-20-9-7-8-10-23(20)34-25/h7-12,15-17,19,27-28,34-35H,6,13-14,18H2,1-5H3,(H,33,39)(H,36,38).
What are the key properties of N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 557.70 g/mol, XLogP of 4.86, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91072065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).