N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C17H26N2OS — CID 107020537

IUPACN-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCN(CCCNC(=O)CC1(CS)CC1)Cc1ccccc1
InChIInChI=1S/C17H26N2OS/c1-19(13-15-6-3-2-4-7-15)11-5-10-18-16(20)12-17(14-21)8-9-17/h2-4,6-7,21H,5,8-14H2,1H3,(H,18,20)
InChIKeyGQAZEPIGCPJGFH-UHFFFAOYSA-N
MW306.47 g/mol
LogP2.72
Rot. Bonds9

About N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107020537) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107020537
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCN(CCCNC(=O)CC1(CS)CC1)Cc1ccccc1
InChIInChI=1S/C17H26N2OS/c1-19(13-15-6-3-2-4-7-15)11-5-10-18-16(20)12-17(14-21)8-9-17/h2-4,6-7,21H,5,8-14H2,1H3,(H,18,20)
InChIKeyGQAZEPIGCPJGFH-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107020537) is N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CN(CCCNC(=O)CC1(CS)CC1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is GQAZEPIGCPJGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-19(13-15-6-3-2-4-7-15)11-5-10-18-16(20)12-17(14-21)8-9-17/h2-4,6-7,21H,5,8-14H2,1H3,(H,18,20).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 306.47 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107020537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).