2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide

C16H25N3O — CID 28577554

IUPAC2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide
SMILESCN(CCCNCC(=O)NC1CC1)Cc1ccccc1
InChIInChI=1S/C16H25N3O/c1-19(13-14-6-3-2-4-7-14)11-5-10-17-12-16(20)18-15-8-9-15/h2-4,6-7,15,17H,5,8-13H2,1H3,(H,18,20)
InChIKeyRMOSKQLHEVNWLE-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.38
Rot. Bonds9

About 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide

2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide (PubChem CID 28577554) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide
PubChem CID28577554
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide
SMILESCN(CCCNCC(=O)NC1CC1)Cc1ccccc1
InChIInChI=1S/C16H25N3O/c1-19(13-14-6-3-2-4-7-14)11-5-10-17-12-16(20)18-15-8-9-15/h2-4,6-7,15,17H,5,8-13H2,1H3,(H,18,20)
InChIKeyRMOSKQLHEVNWLE-UHFFFAOYSA-N
XLogP1.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide
CID 28577544
2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide
CID 43089275
2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone
CID 28577546
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
N'-benzyl-N'-methyl-N-(4-methylcyclohexyl)propane-1,3-diamine
CID 29287205
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate
CID 60680973
2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide
CID 77025961
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine
CID 54903001
2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide
CID 60980547

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide (CID 28577554) is 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide is CN(CCCNCC(=O)NC1CC1)Cc1ccccc1.
What is the InChIKey of 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide?
The InChIKey is RMOSKQLHEVNWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(13-14-6-3-2-4-7-14)11-5-10-17-12-16(20)18-15-8-9-15/h2-4,6-7,15,17H,5,8-13H2,1H3,(H,18,20).
What are the key properties of 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide?
2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide has a molecular weight of 275.40 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 28577554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).