N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide

C21H28N2O — CID 70154649

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C21H28N2O/c1-16(2)7-6-8-17(3)13-14-22-21(24)12-11-18-15-23-20-10-5-4-9-19(18)20/h4-5,7,9-10,13,15,23H,6,8,11-12,14H2,1-3H3,(H,22,24)/b17-13+
InChIKeyMACRBBRVTVNBAI-GHRIWEEISA-N
MW324.47 g/mol
LogP4.91
Rot. Bonds8

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 70154649) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide
PubChem CID70154649
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C21H28N2O/c1-16(2)7-6-8-17(3)13-14-22-21(24)12-11-18-15-23-20-10-5-4-9-19(18)20/h4-5,7,9-10,13,15,23H,6,8,11-12,14H2,1-3H3,(H,22,24)/b17-13+
InChIKeyMACRBBRVTVNBAI-GHRIWEEISA-N
XLogP4.91
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-[2-(1H-indol-3-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 92525977
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide
CID 115636757
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
3-[3-(1H-indol-3-yl)propanoylamino]-3-methylbutanoic acid
CID 64673297
5-(1H-indol-3-yl)-2-methylpent-2-enoic acid
CID 91332063
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide (CID 70154649) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide is CC(C)=CCC/C(C)=C/CNC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is MACRBBRVTVNBAI-GHRIWEEISA-N. The full InChI is InChI=1S/C21H28N2O/c1-16(2)7-6-8-17(3)13-14-22-21(24)12-11-18-15-23-20-10-5-4-9-19(18)20/h4-5,7,9-10,13,15,23H,6,8,11-12,14H2,1-3H3,(H,22,24)/b17-13+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 70154649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).