2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide

C19H26N4O2 — CID 173174563

IUPAC2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
SMILESNC(=O)c1ccccc1CC(=O)NC1CCC(N2C=NCCC2)CC1
InChIInChI=1S/C19H26N4O2/c20-19(25)17-5-2-1-4-14(17)12-18(24)22-15-6-8-16(9-7-15)23-11-3-10-21-13-23/h1-2,4-5,13,15-16H,3,6-12H2,(H2,20,25)(H,22,24)
InChIKeyUEUWSRWEULOBCS-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.49
Rot. Bonds5

About 2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide

2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide (PubChem CID 173174563) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
PubChem CID173174563
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
SMILESNC(=O)c1ccccc1CC(=O)NC1CCC(N2C=NCCC2)CC1
InChIInChI=1S/C19H26N4O2/c20-19(25)17-5-2-1-4-14(17)12-18(24)22-15-6-8-16(9-7-15)23-11-3-10-21-13-23/h1-2,4-5,13,15-16H,3,6-12H2,(H2,20,25)(H,22,24)
InChIKeyUEUWSRWEULOBCS-UHFFFAOYSA-N
XLogP1.49
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]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

2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide
CID 79395029
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105
2-[(cyclohexylmethylamino)methyl]benzamide
CID 43371551
2-[2-[(3,4-dimethylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 104601603
2-[2-(1-cyclopentylethylamino)-2-oxoethyl]benzoic acid
CID 104601586
2-(2-anilino-2-oxoethyl)benzamide
CID 173153266
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-cyclopropyl-2-phenylacetamide
CID 5175687
2-[(1,1-dioxothietan-3-yl)methyl]benzamide
CID 141441544
2-(2-fluorophenyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 11888542
2-(2-fluorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735879
2-[2-(aminomethyl)phenyl]-N-(1,1-dioxothian-4-yl)acetamide
CID 81317741

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide (CID 173174563) is 2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide is NC(=O)c1ccccc1CC(=O)NC1CCC(N2C=NCCC2)CC1.
What is the InChIKey of 2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide?
The InChIKey is UEUWSRWEULOBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-19(25)17-5-2-1-4-14(17)12-18(24)22-15-6-8-16(9-7-15)23-11-3-10-21-13-23/h1-2,4-5,13,15-16H,3,6-12H2,(H2,20,25)(H,22,24).
What are the key properties of 2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide?
2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 173174563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).