N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide

C17H25N3O — CID 62129290

IUPACN-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide
SMILESCc1cc(N(C)CC(=O)NC2CC2)ccc1CNC1CC1
InChIInChI=1S/C17H25N3O/c1-12-9-16(8-3-13(12)10-18-14-4-5-14)20(2)11-17(21)19-15-6-7-15/h3,8-9,14-15,18H,4-7,10-11H2,1-2H3,(H,19,21)
InChIKeyXUXFCTUDKQURJA-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.96
Rot. Bonds7

About N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide

N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide (PubChem CID 62129290) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide
PubChem CID62129290
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide
SMILESCc1cc(N(C)CC(=O)NC2CC2)ccc1CNC1CC1
InChIInChI=1S/C17H25N3O/c1-12-9-16(8-3-13(12)10-18-14-4-5-14)20(2)11-17(21)19-15-6-7-15/h3,8-9,14-15,18H,4-7,10-11H2,1-2H3,(H,19,21)
InChIKeyXUXFCTUDKQURJA-UHFFFAOYSA-N
XLogP1.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
CID 62136200
N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide
CID 62135938
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline
CID 62134168
2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide
CID 113295386
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline
CID 62135574
2-(4-tert-butyl-N-methylanilino)-N-cyclopropylacetamide
CID 60561239
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide
CID 81143504
2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 113461466
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79310746
2-[N,3-dimethyl-4-[(propan-2-ylamino)methyl]anilino]-N-propan-2-ylacetamide
CID 62130131
2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
CID 114850140
2-(N-acetyl-3,4-dimethylanilino)-N-cyclopropylacetamide
CID 113168237

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide (CID 62129290) is N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide is Cc1cc(N(C)CC(=O)NC2CC2)ccc1CNC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide?
The InChIKey is XUXFCTUDKQURJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-9-16(8-3-13(12)10-18-14-4-5-14)20(2)11-17(21)19-15-6-7-15/h3,8-9,14-15,18H,4-7,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide?
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide has a molecular weight of 287.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide is sourced from PubChem (CID 62129290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).