3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide

C21H25F2NO3 — CID 18272953

IUPAC3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1OC(F)F
InChIInChI=1S/C21H25F2NO3/c1-21(2,3)15-8-5-14(6-9-15)7-12-19(25)24-16-10-11-17(26-4)18(13-16)27-20(22)23/h5-6,8-11,13,20H,7,12H2,1-4H3,(H,24,25)
InChIKeyDHHAWVKOLRXFLU-UHFFFAOYSA-N
MW377.43 g/mol
LogP5.17
Rot. Bonds7

About 3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide

3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide (PubChem CID 18272953) has the molecular formula C21H25F2NO3 and a molecular weight of 377.43 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
PubChem CID18272953
Molecular FormulaC21H25F2NO3
Molecular Weight377.43 g/mol
Exact Mass377.18
IUPAC Name3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1OC(F)F
InChIInChI=1S/C21H25F2NO3/c1-21(2,3)15-8-5-14(6-9-15)7-12-19(25)24-16-10-11-17(26-4)18(13-16)27-20(22)23/h5-6,8-11,13,20H,7,12H2,1-4H3,(H,24,25)
InChIKeyDHHAWVKOLRXFLU-UHFFFAOYSA-N
XLogP5.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.43
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 46450594
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 38939923
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
1-tert-butyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 78842481
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide
CID 56517357

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide (CID 18272953) is 3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide is COc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1OC(F)F.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide?
The InChIKey is DHHAWVKOLRXFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO3/c1-21(2,3)15-8-5-14(6-9-15)7-12-19(25)24-16-10-11-17(26-4)18(13-16)27-20(22)23/h5-6,8-11,13,20H,7,12H2,1-4H3,(H,24,25).
What are the key properties of 3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide?
3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide has a molecular weight of 377.43 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide is sourced from PubChem (CID 18272953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).