2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane

C18H28N2O3 — CID 153393704

IUPAC2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane
SMILESCC.CNC(=O)C(CCC=O)N(C=O)Cc1c(C)cccc1C
InChIInChI=1S/C16H22N2O3.C2H6/c1-12-6-4-7-13(2)14(12)10-18(11-20)15(8-5-9-19)16(21)17-3;1-2/h4,6-7,9,11,15H,5,8,10H2,1-3H3,(H,17,21);1-2H3
InChIKeyHUTANNKGSPZALO-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.38
Rot. Bonds8

About 2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane

2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane (PubChem CID 153393704) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane
PubChem CID153393704
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane
SMILESCC.CNC(=O)C(CCC=O)N(C=O)Cc1c(C)cccc1C
InChIInChI=1S/C16H22N2O3.C2H6/c1-12-6-4-7-13(2)14(12)10-18(11-20)15(8-5-9-19)16(21)17-3;1-2/h4,6-7,9,11,15H,5,8,10H2,1-3H3,(H,17,21);1-2H3
InChIKeyHUTANNKGSPZALO-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane 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

(2S)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 127042772
L-valyl-L-proline benzylamide
CID 11645153
(2S)-1-ethyl-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 49864951
(2S)-1-ethyl-5-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 49864952
(2S)-2-amino-N-[(1S)-2-[[(1S)-4-amino-1-formyl-4-oxo-butyl]amino]-1-benzyl-2-oxo-ethyl]-4-methyl-pentanamide
CID 3009790
2-Acetylamino-4-methyl-pentanoic acid (1-formyl-2-phenyl-ethyl)-amide
CID 5288190
D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide
CID 25021183
N-(sec-butyl)-1-(4-methylbenzyl)-5-oxoprolinamide
CID 3237270
1-benzyl-N-cyclopentyl-2-methyl-5-oxoprolinamide
CID 3241770
1-isopropyl-5-oxo-N-(2-phenylethyl)prolinamide
CID 3241916
N-isopropyl-1-(4-methylbenzyl)-5-oxoprolinamide
CID 3245045
(2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxopentanoyl]-N-benzhydrylpyrrolidine-2-carboxamide;formic acid
CID 44182164

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane?
The IUPAC name of 2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane (CID 153393704) is 2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane is CC.CNC(=O)C(CCC=O)N(C=O)Cc1c(C)cccc1C.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane?
The InChIKey is HUTANNKGSPZALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.C2H6/c1-12-6-4-7-13(2)14(12)10-18(11-20)15(8-5-9-19)16(21)17-3;1-2/h4,6-7,9,11,15H,5,8,10H2,1-3H3,(H,17,21);1-2H3.
What are the key properties of 2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane?
2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane has a molecular weight of 320.43 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane is sourced from PubChem (CID 153393704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).