N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide

C18H27N3O — CID 71702555

IUPACN-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide
SMILESCC(C)n1cc(CCC(=O)NCCN(C)C)c2ccccc21
InChIInChI=1S/C18H27N3O/c1-14(2)21-13-15(16-7-5-6-8-17(16)21)9-10-18(22)19-11-12-20(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,19,22)
InChIKeyXITMJWCKPYRBRB-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.83
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide

N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide (PubChem CID 71702555) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide
PubChem CID71702555
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide
SMILESCC(C)n1cc(CCC(=O)NCCN(C)C)c2ccccc21
InChIInChI=1S/C18H27N3O/c1-14(2)21-13-15(16-7-5-6-8-17(16)21)9-10-18(22)19-11-12-20(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,19,22)
InChIKeyXITMJWCKPYRBRB-UHFFFAOYSA-N
XLogP2.83
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide
CID 71706266
N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide
CID 71709449
3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 71709838
N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
CID 71825768
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
methyl 2-(1-propan-2-ylindol-3-yl)acetate
CID 139389299
3-(1-methylindol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 71702593
3-(1-methylindol-3-yl)-N-propan-2-ylpropanamide
CID 110847846
N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide
CID 3296654
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide (CID 71702555) is N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide is CC(C)n1cc(CCC(=O)NCCN(C)C)c2ccccc21.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide?
The InChIKey is XITMJWCKPYRBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14(2)21-13-15(16-7-5-6-8-17(16)21)9-10-18(22)19-11-12-20(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide?
N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide has a molecular weight of 301.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide is sourced from PubChem (CID 71702555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).