1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea

C22H23N3O3 — CID 86943708

IUPAC1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea
SMILESCOc1cccc(CC(C)NC(=O)Nc2cccc(Oc3ccncc3)c2)c1
InChIInChI=1S/C22H23N3O3/c1-16(13-17-5-3-7-20(14-17)27-2)24-22(26)25-18-6-4-8-21(15-18)28-19-9-11-23-12-10-19/h3-12,14-16H,13H2,1-2H3,(H2,24,25,26)
InChIKeySWXPGXWLULSHEC-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.64
Rot. Bonds7

About 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea

1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea (PubChem CID 86943708) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea
PubChem CID86943708
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea
SMILESCOc1cccc(CC(C)NC(=O)Nc2cccc(Oc3ccncc3)c2)c1
InChIInChI=1S/C22H23N3O3/c1-16(13-17-5-3-7-20(14-17)27-2)24-22(26)25-18-6-4-8-21(15-18)28-19-9-11-23-12-10-19/h3-12,14-16H,13H2,1-2H3,(H2,24,25,26)
InChIKeySWXPGXWLULSHEC-UHFFFAOYSA-N
XLogP4.64
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943626
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-[1-(furan-2-yl)propan-2-yl]-3-(3-methoxyphenyl)urea
CID 47172007
1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea
CID 133204314
N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]urea
CID 86943665
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
CID 86943125
1-(4-amino-4-hydroxyiminobutan-2-yl)-3-(3-methoxyphenyl)urea
CID 76934652
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
1-(4-cyclopentylsulfonylphenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943653

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea?
The IUPAC name of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea (CID 86943708) is 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea?
The canonical SMILES for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea is COc1cccc(CC(C)NC(=O)Nc2cccc(Oc3ccncc3)c2)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea?
The InChIKey is SWXPGXWLULSHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16(13-17-5-3-7-20(14-17)27-2)24-22(26)25-18-6-4-8-21(15-18)28-19-9-11-23-12-10-19/h3-12,14-16H,13H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea?
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea has a molecular weight of 377.44 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea is sourced from PubChem (CID 86943708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).