N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide

C19H31NO2 — CID 134557962

IUPACN-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide
SMILESCOc1cc(N(C)C(=O)CCC(C)(C)C)ccc1C(C)(C)C
InChIInChI=1S/C19H31NO2/c1-18(2,3)12-11-17(21)20(7)14-9-10-15(19(4,5)6)16(13-14)22-8/h9-10,13H,11-12H2,1-8H3
InChIKeyGUHOEBZEFMZXIJ-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.78
Rot. Bonds4

About N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide

N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide (PubChem CID 134557962) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide
PubChem CID134557962
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide
SMILESCOc1cc(N(C)C(=O)CCC(C)(C)C)ccc1C(C)(C)C
InChIInChI=1S/C19H31NO2/c1-18(2,3)12-11-17(21)20(7)14-9-10-15(19(4,5)6)16(13-14)22-8/h9-10,13H,11-12H2,1-8H3
InChIKeyGUHOEBZEFMZXIJ-UHFFFAOYSA-N
XLogP4.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
CID 110425453
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide
CID 21025600
N-(3-tert-butyl-4-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193388
methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate
CID 115174603
(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990
tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576972
1-(4-tert-butyl-3-methoxyphenyl)propan-2-one
CID 58452209
1-(3-methoxythiophen-2-yl)-4,4-dimethylpentan-1-one
CID 114969997
3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 110422910
3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
CID 115154887
2-hydroxy-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115139677

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide?
The IUPAC name of N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide (CID 134557962) is N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide.
What is the SMILES notation for N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide?
The canonical SMILES for N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide is COc1cc(N(C)C(=O)CCC(C)(C)C)ccc1C(C)(C)C.
What is the InChIKey of N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide?
The InChIKey is GUHOEBZEFMZXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-18(2,3)12-11-17(21)20(7)14-9-10-15(19(4,5)6)16(13-14)22-8/h9-10,13H,11-12H2,1-8H3.
What are the key properties of N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide?
N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide has a molecular weight of 305.46 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide is sourced from PubChem (CID 134557962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).