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

C19H21N3O2 — CID 82240193

IUPAC3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1cccc(C2=NCCCN2)c1
InChIInChI=1S/C19H21N3O2/c23-18(10-13-24-17-8-2-1-3-9-17)22-16-7-4-6-15(14-16)19-20-11-5-12-21-19/h1-4,6-9,14H,5,10-13H2,(H,20,21)(H,22,23)
InChIKeyZXMHJKJLQVDINO-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.83
Rot. Bonds6

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

3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide (PubChem CID 82240193) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
PubChem CID82240193
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1cccc(C2=NCCCN2)c1
InChIInChI=1S/C19H21N3O2/c23-18(10-13-24-17-8-2-1-3-9-17)22-16-7-4-6-15(14-16)19-20-11-5-12-21-19/h1-4,6-9,14H,5,10-13H2,(H,20,21)(H,22,23)
InChIKeyZXMHJKJLQVDINO-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

N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide
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CID 82252745
1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]phenyl]urea;hydrochloride
CID 54612096
1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea
CID 66919843
N-(3-formylphenyl)-3-phenoxypropanamide
CID 106912466
3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
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1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
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3-phenoxy-N-(5-phenyl-3-pyridinyl)propanamide
CID 110713724
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-phenoxypropanamide
CID 110725650
2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82253133
2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The IUPAC name of 3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide (CID 82240193) is 3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide is O=C(CCOc1ccccc1)Nc1cccc(C2=NCCCN2)c1.
What is the InChIKey of 3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The InChIKey is ZXMHJKJLQVDINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(10-13-24-17-8-2-1-3-9-17)22-16-7-4-6-15(14-16)19-20-11-5-12-21-19/h1-4,6-9,14H,5,10-13H2,(H,20,21)(H,22,23).
What are the key properties of 3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
3-phenoxy-N-[3-(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-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide is sourced from PubChem (CID 82240193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).