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2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide

C20H30N2O3 — CID 171519011

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide
SMILESCCCC(CO)(OC)C(=O)NCc1cc2cc(C)c(C(C)C)cc2[nH]1
InChIInChI=1S/C20H30N2O3/c1-6-7-20(12-23,25-5)19(24)21-11-16-9-15-8-14(4)17(13(2)3)10-18(15)22-16/h8-10,13,22-23H,6-7,11-12H2,1-5H3,(H,21,24)
InChIKeyPDBQVVBFWAFLNZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.39
Rot. Bonds8

About 2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide

2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide (PubChem CID 171519011) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide
PubChem CID171519011
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide
SMILESCCCC(CO)(OC)C(=O)NCc1cc2cc(C)c(C(C)C)cc2[nH]1
InChIInChI=1S/C20H30N2O3/c1-6-7-20(12-23,25-5)19(24)21-11-16-9-15-8-14(4)17(13(2)3)10-18(15)22-16/h8-10,13,22-23H,6-7,11-12H2,1-5H3,(H,21,24)
InChIKeyPDBQVVBFWAFLNZ-UHFFFAOYSA-N
XLogP3.39
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide?
The IUPAC name of 2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide (CID 171519011) is 2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide?
The canonical SMILES for 2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide is CCCC(CO)(OC)C(=O)NCc1cc2cc(C)c(C(C)C)cc2[nH]1.
What is the InChIKey of 2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide?
The InChIKey is PDBQVVBFWAFLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-6-7-20(12-23,25-5)19(24)21-11-16-9-15-8-14(4)17(13(2)3)10-18(15)22-16/h8-10,13,22-23H,6-7,11-12H2,1-5H3,(H,21,24).
What are the key properties of 2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide?
2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide has a molecular weight of 346.47 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide is sourced from PubChem (CID 171519011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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