N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide

C15H25N3O — CID 119881664

IUPACN-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide
SMILESCNCCCC(=O)N(C)CCN(C)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-16-11-7-10-15(19)18(3)13-12-17(2)14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1-3H3
InChIKeyLKRYHWSGDFLEHD-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.58
Rot. Bonds8

About N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide

N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide (PubChem CID 119881664) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide
PubChem CID119881664
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide
SMILESCNCCCC(=O)N(C)CCN(C)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-16-11-7-10-15(19)18(3)13-12-17(2)14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1-3H3
InChIKeyLKRYHWSGDFLEHD-UHFFFAOYSA-N
XLogP1.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.58
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-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide?
The IUPAC name of N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide (CID 119881664) is N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide is CNCCCC(=O)N(C)CCN(C)c1ccccc1.
What is the InChIKey of N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide?
The InChIKey is LKRYHWSGDFLEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-16-11-7-10-15(19)18(3)13-12-17(2)14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1-3H3.
What are the key properties of N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide?
N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide has a molecular weight of 263.38 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide is sourced from PubChem (CID 119881664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).