N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide

C18H26N2O2 — CID 110902772

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide
SMILESCC(C)CC(CO)NC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H26N2O2/c1-13(2)10-15(12-21)20-18(22)9-5-6-14-11-19-17-8-4-3-7-16(14)17/h3-4,7-8,11,13,15,19,21H,5-6,9-10,12H2,1-2H3,(H,20,22)
InChIKeyJUDVHWWYCZIADD-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.01
Rot. Bonds8

About N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide

N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide (PubChem CID 110902772) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide
PubChem CID110902772
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide
SMILESCC(C)CC(CO)NC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H26N2O2/c1-13(2)10-15(12-21)20-18(22)9-5-6-14-11-19-17-8-4-3-7-16(14)17/h3-4,7-8,11,13,15,19,21H,5-6,9-10,12H2,1-2H3,(H,20,22)
InChIKeyJUDVHWWYCZIADD-UHFFFAOYSA-N
XLogP3.01
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]-N,4-dimethylpentanamide
CID 52632899
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102
N-[1-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 42998457
(2S,3R)-3-hydroxy-2-[4-(1H-indol-3-yl)butanoylamino]butanoate
CID 7678933
N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 24544612
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide
CID 51492412
2-[4-(1H-indol-3-yl)butanoylamino]-3-phenylpropanoic acid
CID 6917052

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide (CID 110902772) is N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide is CC(C)CC(CO)NC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide?
The InChIKey is JUDVHWWYCZIADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)10-15(12-21)20-18(22)9-5-6-14-11-19-17-8-4-3-7-16(14)17/h3-4,7-8,11,13,15,19,21H,5-6,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide?
N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide has a molecular weight of 302.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 110902772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).