4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide

C15H23FN2O2 — CID 120591741

IUPAC4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2/c1-15(2,11-4-6-12(16)7-5-11)10-18-14(19)8-13(9-17)20-3/h4-7,13H,8-10,17H2,1-3H3,(H,18,19)
InChIKeyIXAMUZHDZWQIAQ-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.58
Rot. Bonds7

About 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide

4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide (PubChem CID 120591741) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide
PubChem CID120591741
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2/c1-15(2,11-4-6-12(16)7-5-11)10-18-14(19)8-13(9-17)20-3/h4-7,13H,8-10,17H2,1-3H3,(H,18,19)
InChIKeyIXAMUZHDZWQIAQ-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591285
methyl 3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174546
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591825
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119318753
methyl 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142658
N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 115163181
4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide
CID 120591750
methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate
CID 86811738
4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride
CID 120589465
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
CID 120588465
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide
CID 106247589

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide (CID 120591741) is 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide is COC(CN)CC(=O)NCC(C)(C)c1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide?
The InChIKey is IXAMUZHDZWQIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-15(2,11-4-6-12(16)7-5-11)10-18-14(19)8-13(9-17)20-3/h4-7,13H,8-10,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide?
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide has a molecular weight of 282.36 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide is sourced from PubChem (CID 120591741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).