(2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide

C15H23FN2O — CID 61173559

IUPAC(2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(CC)Cc1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-4-11(3)14(17)15(19)18(5-2)10-12-7-6-8-13(16)9-12/h6-9,11,14H,4-5,10,17H2,1-3H3/t11?,14-/m0/s1
InChIKeyQNDWKGGJRJFLQM-IAXJKZSUSA-N
MW266.36 g/mol
LogP2.55
Rot. Bonds6

About (2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide

(2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide (PubChem CID 61173559) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide
PubChem CID61173559
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(CC)Cc1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-4-11(3)14(17)15(19)18(5-2)10-12-7-6-8-13(16)9-12/h6-9,11,14H,4-5,10,17H2,1-3H3/t11?,14-/m0/s1
InChIKeyQNDWKGGJRJFLQM-IAXJKZSUSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
(2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 61173742
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320
3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide
CID 106111947
2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide
CID 76924070
N-ethyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119690197
(2S)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-methylpentanamide
CID 61172861
(2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 66568463
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide
CID 43566279
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide (CID 61173559) is (2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)N(CC)Cc1cccc(F)c1.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide?
The InChIKey is QNDWKGGJRJFLQM-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-11(3)14(17)15(19)18(5-2)10-12-7-6-8-13(16)9-12/h6-9,11,14H,4-5,10,17H2,1-3H3/t11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide?
(2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide has a molecular weight of 266.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 61173559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).