(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide

C14H21FN2O2 — CID 110482461

IUPAC(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCOc1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-10(2)9-12(16)14(18)17-7-8-19-13-6-4-3-5-11(13)15/h3-6,10,12H,7-9,16H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyGCFAMWNRKGMTRR-LBPRGKRZSA-N
MW268.33 g/mol
LogP1.69
Rot. Bonds7

About (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide

(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide (PubChem CID 110482461) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide
PubChem CID110482461
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCOc1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-10(2)9-12(16)14(18)17-7-8-19-13-6-4-3-5-11(13)15/h3-6,10,12H,7-9,16H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyGCFAMWNRKGMTRR-LBPRGKRZSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]butanediamide
CID 110482734
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119266845
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
(2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide
CID 119738781
(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804898
(2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 119772916
(2S)-2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-methylpentanamide;dihydrochloride
CID 119900805
1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea
CID 112970219
N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide
CID 119587842
2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18113570
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide (CID 110482461) is (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCCOc1ccccc1F.
What is the InChIKey of (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide?
The InChIKey is GCFAMWNRKGMTRR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-10(2)9-12(16)14(18)17-7-8-19-13-6-4-3-5-11(13)15/h3-6,10,12H,7-9,16H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide has a molecular weight of 268.33 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide is sourced from PubChem (CID 110482461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).