N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide

C18H27N3O3 — CID 71888767

IUPACN-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)NC(CC(C)C)CN(C)C)cc1
InChIInChI=1S/C18H27N3O3/c1-12(2)10-16(11-21(4)5)20-18(24)17(23)19-15-8-6-14(7-9-15)13(3)22/h6-9,12,16H,10-11H2,1-5H3,(H,19,23)(H,20,24)
InChIKeyLUJHYXFFMVEYDB-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.92
Rot. Bonds7

About N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide

N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide (PubChem CID 71888767) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide
PubChem CID71888767
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)NC(CC(C)C)CN(C)C)cc1
InChIInChI=1S/C18H27N3O3/c1-12(2)10-16(11-21(4)5)20-18(24)17(23)19-15-8-6-14(7-9-15)13(3)22/h6-9,12,16H,10-11H2,1-5H3,(H,19,23)(H,20,24)
InChIKeyLUJHYXFFMVEYDB-UHFFFAOYSA-N
XLogP1.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide 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

1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone
CID 114468361
N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide
CID 62181781
1-[2-amino-4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]phenyl]ethanone
CID 104528581
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
(3R)-3-[(4-acetamidobenzoyl)amino]-4-(dimethylamino)butanoic acid
CID 89472604
3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide
CID 81472392
N'-(4-acetylphenyl)-N-ethyloxamide
CID 108514755
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405
3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea
CID 47186238
4-acetamidobenzoic acid;(2S)-1-(dimethylamino)propan-2-ol
CID 76964719
3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 107980196

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide?
The IUPAC name of N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide (CID 71888767) is N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide is CC(=O)c1ccc(NC(=O)C(=O)NC(CC(C)C)CN(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide?
The InChIKey is LUJHYXFFMVEYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12(2)10-16(11-21(4)5)20-18(24)17(23)19-15-8-6-14(7-9-15)13(3)22/h6-9,12,16H,10-11H2,1-5H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide?
N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide has a molecular weight of 333.43 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide is sourced from PubChem (CID 71888767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).