N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide

C17H27NO2 — CID 21025600

IUPACN-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide
SMILESCOc1cc(N(C)C(=O)CC(C)(C)C)ccc1C(C)C
InChIInChI=1S/C17H27NO2/c1-12(2)14-9-8-13(10-15(14)20-7)18(6)16(19)11-17(3,4)5/h8-10,12H,11H2,1-7H3
InChIKeyJPYZYLYDHKLLGD-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.22
Rot. Bonds4

About N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide

N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide (PubChem CID 21025600) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide
PubChem CID21025600
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide
SMILESCOc1cc(N(C)C(=O)CC(C)(C)C)ccc1C(C)C
InChIInChI=1S/C17H27NO2/c1-12(2)14-9-8-13(10-15(14)20-7)18(6)16(19)11-17(3,4)5/h8-10,12H,11H2,1-7H3
InChIKeyJPYZYLYDHKLLGD-UHFFFAOYSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
CID 110425453
2-hydroxy-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115139677
2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115161877
N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide
CID 134557962
3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
CID 115154887
3-methoxy-4-propan-2-ylbenzoic acid
CID 20750185
4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide
CID 115157259
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
methyl 2-hydroxy-2-(3-methoxy-4-propan-2-ylphenyl)acetate
CID 117349069
2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 58551068
tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576972
N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide
CID 110869221

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide?
The IUPAC name of N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide (CID 21025600) is N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide?
The canonical SMILES for N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide is COc1cc(N(C)C(=O)CC(C)(C)C)ccc1C(C)C.
What is the InChIKey of N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide?
The InChIKey is JPYZYLYDHKLLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)14-9-8-13(10-15(14)20-7)18(6)16(19)11-17(3,4)5/h8-10,12H,11H2,1-7H3.
What are the key properties of N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide?
N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 21025600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).