3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide

C21H26N4O — CID 82252916

IUPAC3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
SMILESCN(C)c1ccc(CCC(=O)Nc2ccc(C3=NCCCN3)cc2)cc1
InChIInChI=1S/C21H26N4O/c1-25(2)19-11-4-16(5-12-19)6-13-20(26)24-18-9-7-17(8-10-18)21-22-14-3-15-23-21/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyRAMFNXKMEYSIBT-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.06
Rot. Bonds6

About 3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide

3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide (PubChem CID 82252916) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
PubChem CID82252916
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
SMILESCN(C)c1ccc(CCC(=O)Nc2ccc(C3=NCCCN3)cc2)cc1
InChIInChI=1S/C21H26N4O/c1-25(2)19-11-4-16(5-12-19)6-13-20(26)24-18-9-7-17(8-10-18)21-22-14-3-15-23-21/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyRAMFNXKMEYSIBT-UHFFFAOYSA-N
XLogP3.06
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide
CID 82245947
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide
CID 82242863
4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide
CID 142672672
4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82251166
3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82252810
3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 24555376
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-[4-(dimethylamino)phenyl]-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 18272653
2-[4-(dimethylsulfamoylamino)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82249387
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878
1-[3-amino-5-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]phenyl]-3-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea
CID 168914194

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide (CID 82252916) is 3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide is CN(C)c1ccc(CCC(=O)Nc2ccc(C3=NCCCN3)cc2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The InChIKey is RAMFNXKMEYSIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-25(2)19-11-4-16(5-12-19)6-13-20(26)24-18-9-7-17(8-10-18)21-22-14-3-15-23-21/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide has a molecular weight of 350.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide is sourced from PubChem (CID 82252916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).