4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid

C15H21FN2O3 — CID 62048002

IUPAC4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(C(=O)NC(C)(C)CCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3/c1-4-18(12-7-5-11(16)6-8-12)14(21)17-15(2,3)10-9-13(19)20/h5-8H,4,9-10H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyLNLTVBXXNMGZGD-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.01
Rot. Bonds6

About 4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid

4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 62048002) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID62048002
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(C(=O)NC(C)(C)CCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3/c1-4-18(12-7-5-11(16)6-8-12)14(21)17-15(2,3)10-9-13(19)20/h5-8H,4,9-10H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyLNLTVBXXNMGZGD-UHFFFAOYSA-N
XLogP3.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 62050050
4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62049262
3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid
CID 64700830
3-chloro-1-ethyl-1-(4-fluorophenyl)urea
CID 87646855
2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463562
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 103429881
4-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 62043499
2-[[[ethyl-(4-fluorophenyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65222194
4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048521
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
N-ethyl-2-(ethylamino)-N-(4-fluorophenyl)-2-methylpropanamide
CID 55121871
3-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43092515

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid (CID 62048002) is 4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid is CCN(C(=O)NC(C)(C)CCC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is LNLTVBXXNMGZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-4-18(12-7-5-11(16)6-8-12)14(21)17-15(2,3)10-9-13(19)20/h5-8H,4,9-10H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid?
4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 296.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 62048002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).