(3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide

C19H29FN2O2 — CID 70064214

IUPAC(3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide
SMILESCC(Cc1ccccc1F)NC(=O)C(O)[C@H](N)CC1CCCCC1
InChIInChI=1S/C19H29FN2O2/c1-13(11-15-9-5-6-10-16(15)20)22-19(24)18(23)17(21)12-14-7-3-2-4-8-14/h5-6,9-10,13-14,17-18,23H,2-4,7-8,11-12,21H2,1H3,(H,22,24)/t13?,17-,18?/m1/s1
InChIKeyMOLHQAPBSWVSHX-LKGZKJKYSA-N
MW336.45 g/mol
LogP2.53
Rot. Bonds7

About (3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide

(3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide (PubChem CID 70064214) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide
PubChem CID70064214
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name(3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide
SMILESCC(Cc1ccccc1F)NC(=O)C(O)[C@H](N)CC1CCCCC1
InChIInChI=1S/C19H29FN2O2/c1-13(11-15-9-5-6-10-16(15)20)22-19(24)18(23)17(21)12-14-7-3-2-4-8-14/h5-6,9-10,13-14,17-18,23H,2-4,7-8,11-12,21H2,1H3,(H,22,24)/t13?,17-,18?/m1/s1
InChIKeyMOLHQAPBSWVSHX-LKGZKJKYSA-N
XLogP2.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide with MolForge

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Related Compounds

benzyl (2S)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate
CID 10155562
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119722765
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate
CID 70097268
(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
CID 54413400
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine
CID 104979808
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate
CID 91156388
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
CID 124831984
1-cycloheptyl-2-(2-fluorophenyl)ethanamine
CID 62590179

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide (CID 70064214) is (3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide is CC(Cc1ccccc1F)NC(=O)C(O)[C@H](N)CC1CCCCC1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide?
The InChIKey is MOLHQAPBSWVSHX-LKGZKJKYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-13(11-15-9-5-6-10-16(15)20)22-19(24)18(23)17(21)12-14-7-3-2-4-8-14/h5-6,9-10,13-14,17-18,23H,2-4,7-8,11-12,21H2,1H3,(H,22,24)/t13?,17-,18?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide?
(3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide has a molecular weight of 336.45 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide is sourced from PubChem (CID 70064214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).