2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide

C16H25N3O — CID 43276217

IUPAC2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C16H25N3O/c1-12(2)10-18-16(20)11-19(15-7-8-15)14-5-3-13(9-17)4-6-14/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyRCRGHLUZISXIHM-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.89
Rot. Bonds7

About 2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide

2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide (PubChem CID 43276217) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide
PubChem CID43276217
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C16H25N3O/c1-12(2)10-18-16(20)11-19(15-7-8-15)14-5-3-13(9-17)4-6-14/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyRCRGHLUZISXIHM-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Lidocaine
CID 3676
Prilocaine
CID 4906
Monoethylglycinexylidide
CID 24415
Prilocaine Hydrochloride
CID 92163
Lidocaine Hydrochloride
CID 6314
Etidocaine
CID 37497
2-((2,6-Dimethylphenyl)amino)-N,N,N-triethyl-2-oxoethanaminium
CID 3925
Trimecaine
CID 12028
Mesocaine
CID 2843496
Diampromide
CID 62370
Etidocaine Hydrochloride
CID 9796823
QX-314 bromide
CID 9884487

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide (CID 43276217) is 2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(c1ccc(CN)cc1)C1CC1.
What is the InChIKey of 2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide?
The InChIKey is RCRGHLUZISXIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)10-18-16(20)11-19(15-7-8-15)14-5-3-13(9-17)4-6-14/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide?
2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 43276217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).