[3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid

C20H23FN2O4 — CID 67200265

IUPAC[3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid
SMILESO=C(O)NCCC(=O)NCC(COCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H23FN2O4/c21-18-8-6-15(7-9-18)13-27-14-17(16-4-2-1-3-5-16)12-23-19(24)10-11-22-20(25)26/h1-9,17,22H,10-14H2,(H,23,24)(H,25,26)
InChIKeyOQIYDQFCNJWZMO-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.90
Rot. Bonds10

About [3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid

[3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid (PubChem CID 67200265) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is [3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid
PubChem CID67200265
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name[3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid
SMILESO=C(O)NCCC(=O)NCC(COCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H23FN2O4/c21-18-8-6-15(7-9-18)13-27-14-17(16-4-2-1-3-5-16)12-23-19(24)10-11-22-20(25)26/h1-9,17,22H,10-14H2,(H,23,24)(H,25,26)
InChIKeyOQIYDQFCNJWZMO-UHFFFAOYSA-N
XLogP2.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]-1-methylpiperidine-4-carboxamide
CID 67197202
N-[3-[(3,5-difluorophenyl)methoxy]-2-phenylpropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 67196995
N-ethyl-2-phenyl-3-phenylmethoxypropan-1-amine
CID 102940555
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351
1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea
CID 38212673
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide
CID 67196881
[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid
CID 69407368
ethyl 4-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]carbamoyl]benzoate
CID 87306026
N-methyl-2-(4-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940575
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
3-(3-phenylmethoxypropanoylamino)propanoic acid
CID 75417899

Frequently Asked Questions

What is the IUPAC name of [3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid?
The IUPAC name of [3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid (CID 67200265) is [3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid.
What is the SMILES notation for [3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid?
The canonical SMILES for [3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid is O=C(O)NCCC(=O)NCC(COCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid?
The InChIKey is OQIYDQFCNJWZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c21-18-8-6-15(7-9-18)13-27-14-17(16-4-2-1-3-5-16)12-23-19(24)10-11-22-20(25)26/h1-9,17,22H,10-14H2,(H,23,24)(H,25,26).
What are the key properties of [3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid?
[3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid has a molecular weight of 374.41 g/mol, XLogP of 2.90, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]amino]-3-oxopropyl]carbamic acid is sourced from PubChem (CID 67200265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).