1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea

C17H20N2O3 — CID 133204314

IUPAC1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea
SMILESCOc1cccc(NC(=O)NC(C)COc2ccccc2)c1
InChIInChI=1S/C17H20N2O3/c1-13(12-22-15-8-4-3-5-9-15)18-17(20)19-14-7-6-10-16(11-14)21-2/h3-11,13H,12H2,1-2H3,(H2,18,19,20)
InChIKeyHJVZUSNIVFXNJA-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.28
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea

1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea (PubChem CID 133204314) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea
PubChem CID133204314
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea
SMILESCOc1cccc(NC(=O)NC(C)COc2ccccc2)c1
InChIInChI=1S/C17H20N2O3/c1-13(12-22-15-8-4-3-5-9-15)18-17(20)19-14-7-6-10-16(11-14)21-2/h3-11,13H,12H2,1-2H3,(H2,18,19,20)
InChIKeyHJVZUSNIVFXNJA-UHFFFAOYSA-N
XLogP3.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea
CID 100579625
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
1-(4-amino-4-hydroxyiminobutan-2-yl)-3-(3-methoxyphenyl)urea
CID 76934652
1-[1-(furan-2-yl)propan-2-yl]-3-(3-methoxyphenyl)urea
CID 47172007
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
methyl 3-[[(2R)-1-phenoxypropan-2-yl]carbamothioylamino]benzoate
CID 100750665
(2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide
CID 71584556
1-(3-methoxyphenyl)-3-(2-phenylpropyl)urea
CID 51328278
2-[3-(butan-2-ylcarbamoylamino)phenoxy]acetic acid
CID 61188461
1-(3-methoxyphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 95045491
2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid
CID 61191979

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea (CID 133204314) is 1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea is COc1cccc(NC(=O)NC(C)COc2ccccc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea?
The InChIKey is HJVZUSNIVFXNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13(12-22-15-8-4-3-5-9-15)18-17(20)19-14-7-6-10-16(11-14)21-2/h3-11,13H,12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea?
1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea has a molecular weight of 300.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea is sourced from PubChem (CID 133204314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).