N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide

C16H20N2O — CID 63995977

IUPACN-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H20N2O/c1-2-12(10-11-6-7-11)18-16(19)14-4-3-5-15-13(14)8-9-17-15/h3-5,8-9,11-12,17H,2,6-7,10H2,1H3,(H,18,19)
InChIKeyQOMVVNVJTNTMJZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.48
Rot. Bonds5

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

N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide (PubChem CID 63995977) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide
PubChem CID63995977
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H20N2O/c1-2-12(10-11-6-7-11)18-16(19)14-4-3-5-15-13(14)8-9-17-15/h3-5,8-9,11-12,17H,2,6-7,10H2,1H3,(H,18,19)
InChIKeyQOMVVNVJTNTMJZ-UHFFFAOYSA-N
XLogP3.48
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-aminobutyl)-1H-indole-4-carboxamide
CID 63733452
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
N-[1-(oxolan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581991
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide
CID 63996800
N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 63996376
N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
CID 115674677
methyl (2S)-3-hydroxy-2-(1H-indole-4-carbonylamino)propanoate
CID 152504979
1H-indole-4-carbohydrazide
CID 43316644
N-(3-ethyl-2-hydroxypentyl)-1H-indole-4-carboxamide
CID 103723441
N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
CID 63010445
N-(2-ethylcyclopropyl)-1H-indole-4-carboxamide
CID 103721300

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide (CID 63995977) is N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide is CCC(CC1CC1)NC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide?
The InChIKey is QOMVVNVJTNTMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-12(10-11-6-7-11)18-16(19)14-4-3-5-15-13(14)8-9-17-15/h3-5,8-9,11-12,17H,2,6-7,10H2,1H3,(H,18,19).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide?
N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide is sourced from PubChem (CID 63995977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).