N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide

C15H23FN2O2 — CID 61022469

IUPACN-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNCC(O)c1ccccc1F
InChIInChI=1S/C15H23FN2O2/c1-3-11(2)18-15(20)8-9-17-10-14(19)12-6-4-5-7-13(12)16/h4-7,11,14,17,19H,3,8-10H2,1-2H3,(H,18,20)
InChIKeyXTHUIBIXDBMOHA-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.75
Rot. Bonds8

About N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide

N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide (PubChem CID 61022469) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
PubChem CID61022469
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNCC(O)c1ccccc1F
InChIInChI=1S/C15H23FN2O2/c1-3-11(2)18-15(20)8-9-17-10-14(19)12-6-4-5-7-13(12)16/h4-7,11,14,17,19H,3,8-10H2,1-2H3,(H,18,20)
InChIKeyXTHUIBIXDBMOHA-UHFFFAOYSA-N
XLogP1.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-3-(2-phenylpropylamino)propanamide
CID 54893679
N-butan-2-yl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60693889
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
CID 54938683
5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106285676
2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol
CID 62640651
N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
CID 109012982
N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide
CID 76892935
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide
CID 62662116
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide (CID 61022469) is N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide is CCC(C)NC(=O)CCNCC(O)c1ccccc1F.
What is the InChIKey of N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide?
The InChIKey is XTHUIBIXDBMOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-3-11(2)18-15(20)8-9-17-10-14(19)12-6-4-5-7-13(12)16/h4-7,11,14,17,19H,3,8-10H2,1-2H3,(H,18,20).
What are the key properties of N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide?
N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide has a molecular weight of 282.36 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide is sourced from PubChem (CID 61022469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).