(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide

C15H23FN2O — CID 61180745

IUPAC(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
SMILESCC(C)C(NC(=O)[C@@H](N)C(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-9(2)13(17)15(19)18-14(10(3)4)11-5-7-12(16)8-6-11/h5-10,13-14H,17H2,1-4H3,(H,18,19)/t13-,14?/m0/s1
InChIKeyNHVMZJSDDZWSSN-LSLKUGRBSA-N
MW266.36 g/mol
LogP2.62
Rot. Bonds5

About (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide

(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide (PubChem CID 61180745) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
PubChem CID61180745
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
SMILESCC(C)C(NC(=O)[C@@H](N)C(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-9(2)13(17)15(19)18-14(10(3)4)11-5-7-12(16)8-6-11/h5-10,13-14H,17H2,1-4H3,(H,18,19)/t13-,14?/m0/s1
InChIKeyNHVMZJSDDZWSSN-LSLKUGRBSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 79024949
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide
CID 112685671
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
(2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide
CID 56956524
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 62851825
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
N-[1-(4-fluorophenyl)-2-methylpropyl]but-2-enamide
CID 78911777
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide (CID 61180745) is (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide is CC(C)C(NC(=O)[C@@H](N)C(C)C)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide?
The InChIKey is NHVMZJSDDZWSSN-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-9(2)13(17)15(19)18-14(10(3)4)11-5-7-12(16)8-6-11/h5-10,13-14H,17H2,1-4H3,(H,18,19)/t13-,14?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide?
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide has a molecular weight of 266.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide is sourced from PubChem (CID 61180745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).