N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide

C17H27NO3 — CID 86901200

IUPACN-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide
SMILESCCOc1ccc(NC(=O)CC(C)C(C)(C)C)cc1OC
InChIInChI=1S/C17H27NO3/c1-7-21-14-9-8-13(11-15(14)20-6)18-16(19)10-12(2)17(3,4)5/h8-9,11-12H,7,10H2,1-6H3,(H,18,19)
InChIKeyLPEKJBFYXONLND-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.10
Rot. Bonds6

About N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide

N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide (PubChem CID 86901200) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide
PubChem CID86901200
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide
SMILESCCOc1ccc(NC(=O)CC(C)C(C)(C)C)cc1OC
InChIInChI=1S/C17H27NO3/c1-7-21-14-9-8-13(11-15(14)20-6)18-16(19)10-12(2)17(3,4)5/h8-9,11-12H,7,10H2,1-6H3,(H,18,19)
InChIKeyLPEKJBFYXONLND-UHFFFAOYSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119688392
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362391
N-(4-ethoxy-3-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531081
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102401
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide (CID 86901200) is N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide is CCOc1ccc(NC(=O)CC(C)C(C)(C)C)cc1OC.
What is the InChIKey of N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide?
The InChIKey is LPEKJBFYXONLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-7-21-14-9-8-13(11-15(14)20-6)18-16(19)10-12(2)17(3,4)5/h8-9,11-12H,7,10H2,1-6H3,(H,18,19).
What are the key properties of N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide?
N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide has a molecular weight of 293.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 86901200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).