1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea

C17H20N2O2 — CID 100746031

IUPAC1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
SMILESCC[C@@H](NC(=O)Nc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-3-16(13-8-5-4-6-9-13)19-17(20)18-14-10-7-11-15(12-14)21-2/h4-12,16H,3H2,1-2H3,(H2,18,19,20)/t16-/m1/s1
InChIKeyTUIZFETXUPTMJH-MRXNPFEDSA-N
MW284.36 g/mol
LogP3.97
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea

1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea (PubChem CID 100746031) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
PubChem CID100746031
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
SMILESCC[C@@H](NC(=O)Nc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-3-16(13-8-5-4-6-9-13)19-17(20)18-14-10-7-11-15(12-14)21-2/h4-12,16H,3H2,1-2H3,(H2,18,19,20)/t16-/m1/s1
InChIKeyTUIZFETXUPTMJH-MRXNPFEDSA-N
XLogP3.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea
CID 100746647
1-(3-aminophenyl)-3-(1-phenylpropyl)urea
CID 62304555
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
ethyl 3-(1-phenylpropylcarbamoylamino)benzoate
CID 3804159
(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 28574627
1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea
CID 133204314
1-(3-methoxyphenyl)-3-(2-phenylpropyl)urea
CID 51328278
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100649697
1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea
CID 62306433

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea (CID 100746031) is 1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea is CC[C@@H](NC(=O)Nc1cccc(OC)c1)c1ccccc1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea?
The InChIKey is TUIZFETXUPTMJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-16(13-8-5-4-6-9-13)19-17(20)18-14-10-7-11-15(12-14)21-2/h4-12,16H,3H2,1-2H3,(H2,18,19,20)/t16-/m1/s1.
What are the key properties of 1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea?
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea has a molecular weight of 284.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea is sourced from PubChem (CID 100746031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).