N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide

C14H21NO2 — CID 17330111

IUPACN-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(C(C)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-10(15-13(16)14(2,3)4)11-6-8-12(17-5)9-7-11/h6-10H,1-5H3,(H,15,16)
InChIKeyPDZFEDNHRSUAIX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.92
Rot. Bonds3

About N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide

N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 17330111) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
PubChem CID17330111
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(C(C)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-10(15-13(16)14(2,3)4)11-6-8-12(17-5)9-7-11/h6-10H,1-5H3,(H,15,16)
InChIKeyPDZFEDNHRSUAIX-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 81363369
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 115426893
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide
CID 100743522
2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 114290803
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
1-[(E)-3,3-dimethylbut-1-enyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108911328
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 58628220
2-bromo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81371482

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide (CID 17330111) is N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide is COc1ccc(C(C)NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is PDZFEDNHRSUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(15-13(16)14(2,3)4)11-6-8-12(17-5)9-7-11/h6-10H,1-5H3,(H,15,16).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide?
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 17330111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).