3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide

C19H23FN2O2 — CID 119692503

IUPAC3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
SMILESCOc1ccc(C(C)NC(=O)C(C)C(N)c2ccccc2)cc1F
InChIInChI=1S/C19H23FN2O2/c1-12(18(21)14-7-5-4-6-8-14)19(23)22-13(2)15-9-10-17(24-3)16(20)11-15/h4-13,18H,21H2,1-3H3,(H,22,23)
InChIKeyQCJGRNMAQBGSQE-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.35
Rot. Bonds6

About 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide

3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide (PubChem CID 119692503) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
PubChem CID119692503
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
SMILESCOc1ccc(C(C)NC(=O)C(C)C(N)c2ccccc2)cc1F
InChIInChI=1S/C19H23FN2O2/c1-12(18(21)14-7-5-4-6-8-14)19(23)22-13(2)15-9-10-17(24-3)16(20)11-15/h4-13,18H,21H2,1-3H3,(H,22,23)
InChIKeyQCJGRNMAQBGSQE-UHFFFAOYSA-N
XLogP3.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119720013
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119801225
3-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119745654
3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 30302598
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 30302600
(2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 94024950
(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-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide (CID 119692503) is 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide is COc1ccc(C(C)NC(=O)C(C)C(N)c2ccccc2)cc1F.
What is the InChIKey of 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide?
The InChIKey is QCJGRNMAQBGSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-12(18(21)14-7-5-4-6-8-14)19(23)22-13(2)15-9-10-17(24-3)16(20)11-15/h4-13,18H,21H2,1-3H3,(H,22,23).
What are the key properties of 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide has a molecular weight of 330.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119692503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).