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

C15H22N2O3 — CID 113055946

IUPACN-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide
SMILESCOc1ccc(CCN(CCNC(C)=O)C(C)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-12(18)16-9-11-17(13(2)19)10-8-14-4-6-15(20-3)7-5-14/h4-7H,8-11H2,1-3H3,(H,16,18)
InChIKeyIBSPRJMZMAXIAC-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.22
Rot. Bonds7

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

N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide (PubChem CID 113055946) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide
PubChem CID113055946
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide
SMILESCOc1ccc(CCN(CCNC(C)=O)C(C)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-12(18)16-9-11-17(13(2)19)10-8-14-4-6-15(20-3)7-5-14/h4-7H,8-11H2,1-3H3,(H,16,18)
InChIKeyIBSPRJMZMAXIAC-UHFFFAOYSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
CID 113055959
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
CID 113055550
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053170
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547
2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 158927905
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
CID 91715659
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113121461
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide
CID 113054996
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 113121514
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 113055017

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide (CID 113055946) is N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide is COc1ccc(CCN(CCNC(C)=O)C(C)=O)cc1.
What is the InChIKey of N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide?
The InChIKey is IBSPRJMZMAXIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(18)16-9-11-17(13(2)19)10-8-14-4-6-15(20-3)7-5-14/h4-7H,8-11H2,1-3H3,(H,16,18).
What are the key properties of N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide?
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide is sourced from PubChem (CID 113055946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).