4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide

C22H29FN2O2 — CID 66679983

IUPAC4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC(C)Oc1ccccc1CN(C)C(=O)CCCN(C)c1ccc(F)cc1
InChIInChI=1S/C22H29FN2O2/c1-17(2)27-21-9-6-5-8-18(21)16-25(4)22(26)10-7-15-24(3)20-13-11-19(23)12-14-20/h5-6,8-9,11-14,17H,7,10,15-16H2,1-4H3
InChIKeyDOKIQNNFAKKAEK-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.49
Rot. Bonds9

About 4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide

4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide (PubChem CID 66679983) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide
PubChem CID66679983
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC Name4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC(C)Oc1ccccc1CN(C)C(=O)CCCN(C)c1ccc(F)cc1
InChIInChI=1S/C22H29FN2O2/c1-17(2)27-21-9-6-5-8-18(21)16-25(4)22(26)10-7-15-24(3)20-13-11-19(23)12-14-20/h5-6,8-9,11-14,17H,7,10,15-16H2,1-4H3
InChIKeyDOKIQNNFAKKAEK-UHFFFAOYSA-N
XLogP4.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 66679315
3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide
CID 86891137
3-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]propanoic acid
CID 119911747
3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94870765
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119278553
4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 55939528
2-methyl-3-[methyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119228442
3-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 134049187
3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
N-(1-aminopropan-2-yl)-N-methyl-2-(2-propan-2-yloxyphenyl)acetamide
CID 119582125

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide?
The IUPAC name of 4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide (CID 66679983) is 4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide?
The canonical SMILES for 4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide is CC(C)Oc1ccccc1CN(C)C(=O)CCCN(C)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide?
The InChIKey is DOKIQNNFAKKAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-17(2)27-21-9-6-5-8-18(21)16-25(4)22(26)10-7-15-24(3)20-13-11-19(23)12-14-20/h5-6,8-9,11-14,17H,7,10,15-16H2,1-4H3.
What are the key properties of 4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide?
4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide has a molecular weight of 372.48 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide is sourced from PubChem (CID 66679983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).