4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide

C15H24N2O2 — CID 55046818

IUPAC4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCCOCCC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-12(2)8-10-19-11-9-17-15(18)13-4-6-14(16-3)7-5-13/h4-7,12,16H,8-11H2,1-3H3,(H,17,18)
InChIKeyXMHWQVXOYRKUKQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.52
Rot. Bonds8

About 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide

4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide (PubChem CID 55046818) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide
PubChem CID55046818
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCCOCCC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-12(2)8-10-19-11-9-17-15(18)13-4-6-14(16-3)7-5-13/h4-7,12,16H,8-11H2,1-3H3,(H,17,18)
InChIKeyXMHWQVXOYRKUKQ-UHFFFAOYSA-N
XLogP2.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.52
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

1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen
CID 166130832
4-(methylamino)-N-(3-phenylbutyl)benzamide
CID 62987359
3-[[4-(methylamino)benzoyl]amino]propanoic acid
CID 119092205
N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide
CID 83114529
N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide
CID 157074659
4-methylpentyl 4-(methylamino)benzoate
CID 104698967
N-[2-[2-(methylamino)ethoxy]ethyl]benzamide
CID 166579726
N-(2-butoxyethyl)-4-hydrazinylbenzamide
CID 62243133
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide
CID 172602747
3-bromo-N-[2-[[N'-methyl-N-[2-(3-methylbutoxy)ethyl]carbamimidoyl]amino]ethyl]benzamide
CID 111971956

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide?
The IUPAC name of 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide (CID 55046818) is 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide.
What is the SMILES notation for 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide?
The canonical SMILES for 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide is CNc1ccc(C(=O)NCCOCCC(C)C)cc1.
What is the InChIKey of 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide?
The InChIKey is XMHWQVXOYRKUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)8-10-19-11-9-17-15(18)13-4-6-14(16-3)7-5-13/h4-7,12,16H,8-11H2,1-3H3,(H,17,18).
What are the key properties of 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide?
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide has a molecular weight of 264.37 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide is sourced from PubChem (CID 55046818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).