N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide

C17H26N2O3 — CID 110790393

IUPACN-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(C)=O)cc1CCNC(=O)CC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-12(20)19-14-6-7-15(22-5)13(10-14)8-9-18-16(21)11-17(2,3)4/h6-7,10H,8-9,11H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyCZLMIJBFCBIFLF-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.75
Rot. Bonds6

About N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide

N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 110790393) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID110790393
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(C)=O)cc1CCNC(=O)CC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-12(20)19-14-6-7-15(22-5)13(10-14)8-9-18-16(21)11-17(2,3)4/h6-7,10H,8-9,11H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyCZLMIJBFCBIFLF-UHFFFAOYSA-N
XLogP2.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 110790394
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3-methoxybenzamide
CID 110790375
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide
CID 96659275
2-(3-acetamidoanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000800
2-[5-(carbamothioylamino)-2-methoxyphenyl]ethylcarbamic acid
CID 18622048
2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide
CID 110795201
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795893
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110784111
3-(5-acetamido-2-methoxyphenyl)-2-aminopropanoic acid
CID 82481451
N-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 49172929

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide (CID 110790393) is N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide is COc1ccc(NC(C)=O)cc1CCNC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is CZLMIJBFCBIFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(20)19-14-6-7-15(22-5)13(10-14)8-9-18-16(21)11-17(2,3)4/h6-7,10H,8-9,11H2,1-5H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide?
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 306.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 110790393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).