N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide

C18H27FN2O2 — CID 45484683

IUPACN-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C)cc1F
InChIInChI=1S/C18H27FN2O2/c1-5-18(3,4)17(22)20-16-11-14(13(2)10-15(16)19)12-21-6-8-23-9-7-21/h10-11H,5-9,12H2,1-4H3,(H,20,22)
InChIKeyUEWBWRPAYHCQDJ-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.34
Rot. Bonds5

About N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide

N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide (PubChem CID 45484683) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide
PubChem CID45484683
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC NameN-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C)cc1F
InChIInChI=1S/C18H27FN2O2/c1-5-18(3,4)17(22)20-16-11-14(13(2)10-15(16)19)12-21-6-8-23-9-7-21/h10-11H,5-9,12H2,1-4H3,(H,20,22)
InChIKeyUEWBWRPAYHCQDJ-UHFFFAOYSA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]butanamide
CID 69164218
N-[6-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide
CID 71098344
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-methylpropan-1-ol
CID 117422004
3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119834747
5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
CID 651170
N-(4,5-difluoro-1-methyl-3H-2,1-benzoxaborol-6-yl)-2,2-dimethylbutanamide
CID 167674574
2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide
CID 69167205
ethyl 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxoacetate
CID 117475900
3-methyl-N-(4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 157492657
1-(4-hydroxy-2-methylphenyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 122150685
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399
N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide
CID 70622393

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide (CID 45484683) is N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C)cc1F.
What is the InChIKey of N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide?
The InChIKey is UEWBWRPAYHCQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-5-18(3,4)17(22)20-16-11-14(13(2)10-15(16)19)12-21-6-8-23-9-7-21/h10-11H,5-9,12H2,1-4H3,(H,20,22).
What are the key properties of N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide?
N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide has a molecular weight of 322.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 45484683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).