N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide

C16H25N3O — CID 61488484

IUPACN-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide
SMILESCN(CCCNCC(=O)N(C)C1CC1)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-18(14-7-4-3-5-8-14)12-6-11-17-13-16(20)19(2)15-9-10-15/h3-5,7-8,15,17H,6,9-13H2,1-2H3
InChIKeyJRFZQTFOIZWLLA-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.72
Rot. Bonds8

About N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide

N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide (PubChem CID 61488484) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide
PubChem CID61488484
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide
SMILESCN(CCCNCC(=O)N(C)C1CC1)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-18(14-7-4-3-5-8-14)12-6-11-17-13-16(20)19(2)15-9-10-15/h3-5,7-8,15,17H,6,9-13H2,1-2H3
InChIKeyJRFZQTFOIZWLLA-UHFFFAOYSA-N
XLogP1.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide (CID 61488484) is N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide is CN(CCCNCC(=O)N(C)C1CC1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide?
The InChIKey is JRFZQTFOIZWLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(14-7-4-3-5-8-14)12-6-11-17-13-16(20)19(2)15-9-10-15/h3-5,7-8,15,17H,6,9-13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide?
N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide is sourced from PubChem (CID 61488484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).