4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide

C16H24N2O2 — CID 65163508

IUPAC4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCCC2CCCO2)cc1
InChIInChI=1S/C16H24N2O2/c1-13-4-6-14(7-5-13)16(19)18-11-10-17-9-8-15-3-2-12-20-15/h4-7,15,17H,2-3,8-12H2,1H3,(H,18,19)
InChIKeyNSMHQIXDHFMUCH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.88
Rot. Bonds7

About 4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide

4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide (PubChem CID 65163508) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide
PubChem CID65163508
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCCC2CCCO2)cc1
InChIInChI=1S/C16H24N2O2/c1-13-4-6-14(7-5-13)16(19)18-11-10-17-9-8-15-3-2-12-20-15/h4-7,15,17H,2-3,8-12H2,1H3,(H,18,19)
InChIKeyNSMHQIXDHFMUCH-UHFFFAOYSA-N
XLogP1.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55631834
4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide
CID 97306681
6-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 62176089
N-[2-[[N-ethyl-N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111137163
6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 60734395
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide (CID 65163508) is 4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide is Cc1ccc(C(=O)NCCNCCC2CCCO2)cc1.
What is the InChIKey of 4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide?
The InChIKey is NSMHQIXDHFMUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-4-6-14(7-5-13)16(19)18-11-10-17-9-8-15-3-2-12-20-15/h4-7,15,17H,2-3,8-12H2,1H3,(H,18,19).
What are the key properties of 4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide?
4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 65163508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).