N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide

C14H18N2O2 — CID 52986149

IUPACN-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide
SMILESCCC(C)NC(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H18N2O2/c1-4-9(2)15-14(18)10-5-6-12-11(7-10)8-13(17)16(12)3/h5-7,9H,4,8H2,1-3H3,(H,15,18)
InChIKeySICLXCFVMXVQHW-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.73
Rot. Bonds3

About N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide

N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide (PubChem CID 52986149) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide
PubChem CID52986149
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide
SMILESCCC(C)NC(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H18N2O2/c1-4-9(2)15-14(18)10-5-6-12-11(7-10)8-13(17)16(12)3/h5-7,9H,4,8H2,1-3H3,(H,15,18)
InChIKeySICLXCFVMXVQHW-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one
CID 116923890
N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
CID 116847960
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591
3-(methylamino)-4-(1-methyl-2-oxo-3H-indol-5-yl)-4-oxobutanoic acid
CID 82349909
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 52986160
4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813511
N-cycloheptyl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986175
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
(E)-4-methyl-3-(1-methyl-2-oxo-3H-indol-5-yl)pent-2-enoic acid
CID 82121181
5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one
CID 116916336

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide?
The IUPAC name of N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide (CID 52986149) is N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide is CCC(C)NC(=O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide?
The InChIKey is SICLXCFVMXVQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-9(2)15-14(18)10-5-6-12-11(7-10)8-13(17)16(12)3/h5-7,9H,4,8H2,1-3H3,(H,15,18).
What are the key properties of N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide?
N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide is sourced from PubChem (CID 52986149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).