1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea

C20H26N2O3 — CID 111334657

IUPAC1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCOc1cccc(CC(C)NC(=O)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C20H26N2O3/c1-15(12-16-8-7-11-18(13-16)25-3)22-19(23)21-14-20(2,24)17-9-5-4-6-10-17/h4-11,13,15,24H,12,14H2,1-3H3,(H2,21,22,23)
InChIKeyQGWPVGBBECQIHL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.83
Rot. Bonds7

About 1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea

1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea (PubChem CID 111334657) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
PubChem CID111334657
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCOc1cccc(CC(C)NC(=O)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C20H26N2O3/c1-15(12-16-8-7-11-18(13-16)25-3)22-19(23)21-14-20(2,24)17-9-5-4-6-10-17/h4-11,13,15,24H,12,14H2,1-3H3,(H2,21,22,23)
InChIKeyQGWPVGBBECQIHL-UHFFFAOYSA-N
XLogP2.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
CID 86943125
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943106
1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111335702
1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
CID 86943865
4-[3-[1-(3-methoxyphenyl)propan-2-ylamino]-3-oxopropyl]benzoic acid
CID 119185222
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
2-(2-methoxyanilino)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96534561
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea (CID 111334657) is 1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea is COc1cccc(CC(C)NC(=O)NCC(C)(O)c2ccccc2)c1.
What is the InChIKey of 1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The InChIKey is QGWPVGBBECQIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(12-16-8-7-11-18(13-16)25-3)22-19(23)21-14-20(2,24)17-9-5-4-6-10-17/h4-11,13,15,24H,12,14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 111334657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).