N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide

C20H25N3O — CID 71706266

IUPACN-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide
SMILESCC(C)n1cc(CCC(=O)NCc2cccn2C)c2ccccc21
InChIInChI=1S/C20H25N3O/c1-15(2)23-14-16(18-8-4-5-9-19(18)23)10-11-20(24)21-13-17-7-6-12-22(17)3/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,21,24)
InChIKeyJQXDVQSPNCPNBF-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.81
Rot. Bonds6

About N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide

N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide (PubChem CID 71706266) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide
PubChem CID71706266
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide
SMILESCC(C)n1cc(CCC(=O)NCc2cccn2C)c2ccccc21
InChIInChI=1S/C20H25N3O/c1-15(2)23-14-16(18-8-4-5-9-19(18)23)10-11-20(24)21-13-17-7-6-12-22(17)3/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,21,24)
InChIKeyJQXDVQSPNCPNBF-UHFFFAOYSA-N
XLogP3.81
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide
CID 71702555
3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 71709838
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
3-(1-methylindol-3-yl)-N-propan-2-ylpropanamide
CID 110847846
N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
CID 71825768
N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide
CID 71709449
N-[(1-methylpyrrol-2-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114186109
5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 106416804
4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide
CID 106423340
methyl 2-(1-propan-2-ylindol-3-yl)acetate
CID 139389299
3-(1-methylindol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 71702593
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide (CID 71706266) is N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide is CC(C)n1cc(CCC(=O)NCc2cccn2C)c2ccccc21.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide?
The InChIKey is JQXDVQSPNCPNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(2)23-14-16(18-8-4-5-9-19(18)23)10-11-20(24)21-13-17-7-6-12-22(17)3/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,21,24).
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide?
N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide has a molecular weight of 323.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide is sourced from PubChem (CID 71706266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).