(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide

C19H23FN2O2 — CID 153327338

IUPAC(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FN2O2/c1-2-4-18(21)19(23)22-12-14-7-9-17(10-8-14)24-13-15-5-3-6-16(20)11-15/h3,5-11,18H,2,4,12-13,21H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyGNUQWAOLOHYQGQ-SFHVURJKSA-N
MW330.40 g/mol
LogP3.15
Rot. Bonds8

About (2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide

(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide (PubChem CID 153327338) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide
PubChem CID153327338
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FN2O2/c1-2-4-18(21)19(23)22-12-14-7-9-17(10-8-14)24-13-15-5-3-6-16(20)11-15/h3,5-11,18H,2,4,12-13,21H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyGNUQWAOLOHYQGQ-SFHVURJKSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide;hydrochloride
CID 119283180
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985
2-amino-N-benzylpentanamide
CID 11020044
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide
CID 123999268
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10193260
4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
CID 119283185
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide
CID 119315367
2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258868
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide (CID 153327338) is (2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide is CCC[C@H](N)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of (2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide?
The InChIKey is GNUQWAOLOHYQGQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-2-4-18(21)19(23)22-12-14-7-9-17(10-8-14)24-13-15-5-3-6-16(20)11-15/h3,5-11,18H,2,4,12-13,21H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide?
(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide has a molecular weight of 330.40 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide is sourced from PubChem (CID 153327338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).