N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide

C17H24N2O2 — CID 79270948

IUPACN-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
SMILESCN(CC(C)(C)O)C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H24N2O2/c1-17(2,21)12-19(3)16(20)10-6-7-13-11-18-15-9-5-4-8-14(13)15/h4-5,8-9,11,18,21H,6-7,10,12H2,1-3H3
InChIKeyNKJLMQAJFQEDPS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.72
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide

N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide (PubChem CID 79270948) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
PubChem CID79270948
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
SMILESCN(CC(C)(C)O)C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H24N2O2/c1-17(2,21)12-19(3)16(20)10-6-7-13-11-18-15-9-5-4-8-14(13)15/h4-5,8-9,11,18,21H,6-7,10,12H2,1-3H3
InChIKeyNKJLMQAJFQEDPS-UHFFFAOYSA-N
XLogP2.72
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)propanamide
CID 79380294
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 31284992
4-(1H-indol-3-yl)butanamide
CID 588715
4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 38304184
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 4807536
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 19454245
N,N-bis(cyanomethyl)-4-(1H-indol-3-yl)butanamide
CID 43582543
N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 30707132

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide (CID 79270948) is N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide is CN(CC(C)(C)O)C(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide?
The InChIKey is NKJLMQAJFQEDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,21)12-19(3)16(20)10-6-7-13-11-18-15-9-5-4-8-14(13)15/h4-5,8-9,11,18,21H,6-7,10,12H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide?
N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide has a molecular weight of 288.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide is sourced from PubChem (CID 79270948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).