N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide

C16H23N3O2 — CID 107236148

IUPACN-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide
SMILESCOCCNC(=O)C(C)NCc1cn(C)c2ccccc12
InChIInChI=1S/C16H23N3O2/c1-12(16(20)17-8-9-21-3)18-10-13-11-19(2)15-7-5-4-6-14(13)15/h4-7,11-12,18H,8-10H2,1-3H3,(H,17,20)
InChIKeyINCWIPCLCKHABV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.42
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide

N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide (PubChem CID 107236148) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide
PubChem CID107236148
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide
SMILESCOCCNC(=O)C(C)NCc1cn(C)c2ccccc12
InChIInChI=1S/C16H23N3O2/c1-12(16(20)17-8-9-21-3)18-10-13-11-19(2)15-7-5-4-6-14(13)15/h4-7,11-12,18H,8-10H2,1-3H3,(H,17,20)
InChIKeyINCWIPCLCKHABV-UHFFFAOYSA-N
XLogP1.42
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide (CID 107236148) is N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide is COCCNC(=O)C(C)NCc1cn(C)c2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide?
The InChIKey is INCWIPCLCKHABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(16(20)17-8-9-21-3)18-10-13-11-19(2)15-7-5-4-6-14(13)15/h4-7,11-12,18H,8-10H2,1-3H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide?
N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide is sourced from PubChem (CID 107236148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).