1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea

C20H25FN2O2 — CID 30302598

IUPAC1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
SMILESCOc1ccc([C@@H](C)NC(=O)N[C@H](c2ccccc2)C(C)C)cc1F
InChIInChI=1S/C20H25FN2O2/c1-13(2)19(15-8-6-5-7-9-15)23-20(24)22-14(3)16-10-11-18(25-4)17(21)12-16/h5-14,19H,1-4H3,(H2,22,23,24)/t14-,19+/m1/s1
InChIKeyJARSLHMLXHPUEC-KUHUBIRLSA-N
MW344.43 g/mol
LogP4.59
Rot. Bonds6

About 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea

1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea (PubChem CID 30302598) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
PubChem CID30302598
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
SMILESCOc1ccc([C@@H](C)NC(=O)N[C@H](c2ccccc2)C(C)C)cc1F
InChIInChI=1S/C20H25FN2O2/c1-13(2)19(15-8-6-5-7-9-15)23-20(24)22-14(3)16-10-11-18(25-4)17(21)12-16/h5-14,19H,1-4H3,(H2,22,23,24)/t14-,19+/m1/s1
InChIKeyJARSLHMLXHPUEC-KUHUBIRLSA-N
XLogP4.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 30302600
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892876
3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119692503
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
N-(2-fluoroethyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylcarbamoylamino]propanamide
CID 119051460
(2S)-N-(2-fluoroethyl)-2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]propanamide
CID 124843702
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 18200791
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea?
The IUPAC name of 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea (CID 30302598) is 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea.
What is the SMILES notation for 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea?
The canonical SMILES for 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea is COc1ccc([C@@H](C)NC(=O)N[C@H](c2ccccc2)C(C)C)cc1F.
What is the InChIKey of 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea?
The InChIKey is JARSLHMLXHPUEC-KUHUBIRLSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-13(2)19(15-8-6-5-7-9-15)23-20(24)22-14(3)16-10-11-18(25-4)17(21)12-16/h5-14,19H,1-4H3,(H2,22,23,24)/t14-,19+/m1/s1.
What are the key properties of 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea?
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea has a molecular weight of 344.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea is sourced from PubChem (CID 30302598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).