N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide

C15H25N3O — CID 104548124

IUPACN-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCN(C)C(=O)c1ccccc1CCNC
InChIInChI=1S/C15H25N3O/c1-16-10-6-12-18(3)15(19)14-8-5-4-7-13(14)9-11-17-2/h4-5,7-8,16-17H,6,9-12H2,1-3H3
InChIKeyCWUYUQYTSGEFFL-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.13
Rot. Bonds8

About N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide

N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide (PubChem CID 104548124) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
PubChem CID104548124
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCN(C)C(=O)c1ccccc1CCNC
InChIInChI=1S/C15H25N3O/c1-16-10-6-12-18(3)15(19)14-8-5-4-7-13(14)9-11-17-2/h4-5,7-8,16-17H,6,9-12H2,1-3H3
InChIKeyCWUYUQYTSGEFFL-UHFFFAOYSA-N
XLogP1.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.13
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

N-(2-hydroxyethyl)-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 113425674
N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950
N-methyl-2-[2-(methylamino)ethyl]-N-(2-methylsulfanylethyl)benzamide
CID 113425695
N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 104547877
N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 104547715
N-ethyl-N-(2-hydroxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547574
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
N-methyl-2-[2-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 104547733
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104547839

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide (CID 104548124) is N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide is CNCCCN(C)C(=O)c1ccccc1CCNC.
What is the InChIKey of N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide?
The InChIKey is CWUYUQYTSGEFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-16-10-6-12-18(3)15(19)14-8-5-4-7-13(14)9-11-17-2/h4-5,7-8,16-17H,6,9-12H2,1-3H3.
What are the key properties of N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide?
N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide has a molecular weight of 263.38 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 104548124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).