N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide

C16H22N2O2 — CID 111595853

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H22N2O2/c1-4-11(2)16(3,20)10-18-15(19)13-6-5-7-14-12(13)8-9-17-14/h5-9,11,17,20H,4,10H2,1-3H3,(H,18,19)
InChIKeyPUDZEKARANVMPD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.69
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide

N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide (PubChem CID 111595853) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide
PubChem CID111595853
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H22N2O2/c1-4-11(2)16(3,20)10-18-15(19)13-6-5-7-14-12(13)8-9-17-14/h5-9,11,17,20H,4,10H2,1-3H3,(H,18,19)
InChIKeyPUDZEKARANVMPD-UHFFFAOYSA-N
XLogP2.69
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)-1H-indole-4-carboxamide
CID 115305746
N-(2-aminobutyl)-1H-indole-4-carboxamide
CID 63733452
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide
CID 115672235
N-(3-ethyl-2-hydroxypentyl)-1H-indole-4-carboxamide
CID 103723441
2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide
CID 109399368
2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111446636
N-(2,2-diethoxyethyl)-1H-indole-4-carboxamide
CID 79548414
N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide
CID 63960321
2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 95987001
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide (CID 111595853) is N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide is CCC(C)C(C)(O)CNC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide?
The InChIKey is PUDZEKARANVMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-11(2)16(3,20)10-18-15(19)13-6-5-7-14-12(13)8-9-17-14/h5-9,11,17,20H,4,10H2,1-3H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide?
N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 111595853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).