N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide

C14H18N2O2 — CID 62640630

IUPACN-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
SMILESCOCCC(C)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H18N2O2/c1-10(6-8-18-2)16-14(17)12-4-3-11-5-7-15-13(11)9-12/h3-5,7,9-10,15H,6,8H2,1-2H3,(H,16,17)
InChIKeyXMJRXZULRDNTKD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.32
Rot. Bonds5

About N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide

N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide (PubChem CID 62640630) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
PubChem CID62640630
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
SMILESCOCCC(C)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H18N2O2/c1-10(6-8-18-2)16-14(17)12-4-3-11-5-7-15-13(11)9-12/h3-5,7,9-10,15H,6,8H2,1-2H3,(H,16,17)
InChIKeyXMJRXZULRDNTKD-UHFFFAOYSA-N
XLogP2.32
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129
methyl (2R,3R)-2-(1H-indole-6-carbonylamino)-3-methylpentanoate
CID 95357359
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
CID 47432269
N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
CID 103920171
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
N-octan-4-yl-1H-indole-6-carboxamide
CID 106025028
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
CID 106353350
(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 80750330
(2S)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 55230988

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide (CID 62640630) is N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide is COCCC(C)NC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide?
The InChIKey is XMJRXZULRDNTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(6-8-18-2)16-14(17)12-4-3-11-5-7-15-13(11)9-12/h3-5,7,9-10,15H,6,8H2,1-2H3,(H,16,17).
What are the key properties of N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide?
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide is sourced from PubChem (CID 62640630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).