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

C19H21N3O2 — CID 82240192

IUPAC3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1ccccc1C1=NCCCN1
InChIInChI=1S/C19H21N3O2/c23-18(11-14-24-15-7-2-1-3-8-15)22-17-10-5-4-9-16(17)19-20-12-6-13-21-19/h1-5,7-10H,6,11-14H2,(H,20,21)(H,22,23)
InChIKeyHIADAYAZQOUIAU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.83
Rot. Bonds6

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

3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide (PubChem CID 82240192) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
PubChem CID82240192
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1ccccc1C1=NCCCN1
InChIInChI=1S/C19H21N3O2/c23-18(11-14-24-15-7-2-1-3-8-15)22-17-10-5-4-9-16(17)19-20-12-6-13-21-19/h1-5,7-10H,6,11-14H2,(H,20,21)(H,22,23)
InChIKeyHIADAYAZQOUIAU-UHFFFAOYSA-N
XLogP2.83
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82240193
3-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]propanoic acid
CID 82244461
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-(2-iodophenyl)-3-phenoxypropanamide
CID 26087738
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide
CID 82240196
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
N-[2-(1-hydroxyethyl)phenyl]-3-phenoxypropanamide
CID 43508522
2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82249038
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide
CID 110734418
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The IUPAC name of 3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide (CID 82240192) is 3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide is O=C(CCOc1ccccc1)Nc1ccccc1C1=NCCCN1.
What is the InChIKey of 3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The InChIKey is HIADAYAZQOUIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(11-14-24-15-7-2-1-3-8-15)22-17-10-5-4-9-16(17)19-20-12-6-13-21-19/h1-5,7-10H,6,11-14H2,(H,20,21)(H,22,23).
What are the key properties of 3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide is sourced from PubChem (CID 82240192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).