N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide

C17H26N2O3 — CID 113052674

IUPACN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCCC(C)N(CCNC(=O)Cc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-5-13(2)19(14(3)20)11-10-18-17(21)12-15-6-8-16(22-4)9-7-15/h6-9,13H,5,10-12H2,1-4H3,(H,18,21)
InChIKeyDZAPCJCLPAVUJX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.00
Rot. Bonds8

About N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide

N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 113052674) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID113052674
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCCC(C)N(CCNC(=O)Cc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-5-13(2)19(14(3)20)11-10-18-17(21)12-15-6-8-16(22-4)9-7-15/h6-9,13H,5,10-12H2,1-4H3,(H,18,21)
InChIKeyDZAPCJCLPAVUJX-UHFFFAOYSA-N
XLogP2.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 113116142
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547
N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide
CID 113051986
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053170
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056584
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113052697
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052708
N-[2-(N-acetyl-2-propan-2-ylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113058617
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052939
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056718
N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 56968146

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide (CID 113052674) is N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide is CCC(C)N(CCNC(=O)Cc1ccc(OC)cc1)C(C)=O.
What is the InChIKey of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is DZAPCJCLPAVUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-13(2)19(14(3)20)11-10-18-17(21)12-15-6-8-16(22-4)9-7-15/h6-9,13H,5,10-12H2,1-4H3,(H,18,21).
What are the key properties of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113052674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).