N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide

C22H27N3O — CID 18118692

IUPACN-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide
SMILESCN(CCCNC(=O)CCn1ccc2ccccc21)Cc1ccccc1
InChIInChI=1S/C22H27N3O/c1-24(18-19-8-3-2-4-9-19)15-7-14-23-22(26)13-17-25-16-12-20-10-5-6-11-21(20)25/h2-6,8-12,16H,7,13-15,17-18H2,1H3,(H,23,26)
InChIKeyYOZMLZFLOQAQQN-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.67
Rot. Bonds9

About N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide

N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide (PubChem CID 18118692) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide
PubChem CID18118692
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide
SMILESCN(CCCNC(=O)CCn1ccc2ccccc21)Cc1ccccc1
InChIInChI=1S/C22H27N3O/c1-24(18-19-8-3-2-4-9-19)15-7-14-23-22(26)13-17-25-16-12-20-10-5-6-11-21(20)25/h2-6,8-12,16H,7,13-15,17-18H2,1H3,(H,23,26)
InChIKeyYOZMLZFLOQAQQN-UHFFFAOYSA-N
XLogP3.67
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-3-indol-1-ylpropanamide
CID 84556794
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114637
N-(3-hydroxybutyl)-3-indol-1-ylpropanamide
CID 111429170
N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
CID 28971541
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
N-[2-[benzyl(methyl)amino]ethyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide
CID 3237972
2-[2-(3-indol-1-ylpropanoylamino)ethoxy]propanoic acid
CID 110495262
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide (CID 18118692) is N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide is CN(CCCNC(=O)CCn1ccc2ccccc21)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide?
The InChIKey is YOZMLZFLOQAQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-24(18-19-8-3-2-4-9-19)15-7-14-23-22(26)13-17-25-16-12-20-10-5-6-11-21(20)25/h2-6,8-12,16H,7,13-15,17-18H2,1H3,(H,23,26).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide?
N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide has a molecular weight of 349.48 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide is sourced from PubChem (CID 18118692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).