3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide

C25H26N4O3 — CID 55840479

IUPAC3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C25H26N4O3/c1-15-22-20(9-6-10-21(22)30)29-23(15)24(31)26-16(2)17-11-13-19(14-12-17)28-25(32)27-18-7-4-3-5-8-18/h3-5,7-8,11-14,16,29H,6,9-10H2,1-2H3,(H,26,31)(H2,27,28,32)
InChIKeySXNLGNJXKUYJIT-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.98
Rot. Bonds5

About 3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide

3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 55840479) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID55840479
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C25H26N4O3/c1-15-22-20(9-6-10-21(22)30)29-23(15)24(31)26-16(2)17-11-13-19(14-12-17)28-25(32)27-18-7-4-3-5-8-18/h3-5,7-8,11-14,16,29H,6,9-10H2,1-2H3,(H,26,31)(H2,27,28,32)
InChIKeySXNLGNJXKUYJIT-UHFFFAOYSA-N
XLogP4.98
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24536546
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CID 32578013
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 71944357
(2R)-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]-3-phenylpropanoic acid
CID 119367299
N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31011246
N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24574939
3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 35505129
methyl 3-(4-fluorophenyl)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]propanoate
CID 55996604
methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate
CID 60517720
2-methyl-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 120701412
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 51275522
3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 71938365

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide (CID 55840479) is 3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is SXNLGNJXKUYJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-15-22-20(9-6-10-21(22)30)29-23(15)24(31)26-16(2)17-11-13-19(14-12-17)28-25(32)27-18-7-4-3-5-8-18/h3-5,7-8,11-14,16,29H,6,9-10H2,1-2H3,(H,26,31)(H2,27,28,32).
What are the key properties of 3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.98, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 55840479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).