N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide

C22H29FN2O — CID 109021297

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCNCc1ccc(F)cc1
InChIInChI=1S/C22H29FN2O/c1-15(2)19-6-5-7-20(16(3)4)22(19)25-21(26)12-13-24-14-17-8-10-18(23)11-9-17/h5-11,15-16,24H,12-14H2,1-4H3,(H,25,26)
InChIKeyMQDYSAJFCUDSGK-UHFFFAOYSA-N
MW356.49 g/mol
LogP5.19
Rot. Bonds8

About N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide

N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide (PubChem CID 109021297) has the molecular formula C22H29FN2O and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide
PubChem CID109021297
Molecular FormulaC22H29FN2O
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCNCc1ccc(F)cc1
InChIInChI=1S/C22H29FN2O/c1-15(2)19-6-5-7-20(16(3)4)22(19)25-21(26)12-13-24-14-17-8-10-18(23)11-9-17/h5-11,15-16,24H,12-14H2,1-4H3,(H,25,26)
InChIKeyMQDYSAJFCUDSGK-UHFFFAOYSA-N
XLogP5.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997808
N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022544
N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 49381870
3-(1,3-benzodioxol-5-ylmethylamino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 109022844
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113000660
N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 109011721
2-(4-fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7919869
3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109018986
3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109019326
3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide
CID 109021206
2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 19874958
3-(4-chloroanilino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 139806981

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide (CID 109021297) is N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide is CC(C)c1cccc(C(C)C)c1NC(=O)CCNCc1ccc(F)cc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide?
The InChIKey is MQDYSAJFCUDSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O/c1-15(2)19-6-5-7-20(16(3)4)22(19)25-21(26)12-13-24-14-17-8-10-18(23)11-9-17/h5-11,15-16,24H,12-14H2,1-4H3,(H,25,26).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide?
N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide has a molecular weight of 356.49 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide is sourced from PubChem (CID 109021297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).