3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide

C19H30N2O3 — CID 113121259

IUPAC3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
SMILESCOc1ccccc1CCN(CCC(=O)NCCC(C)C)C(C)=O
InChIInChI=1S/C19H30N2O3/c1-15(2)9-12-20-19(23)11-14-21(16(3)22)13-10-17-7-5-6-8-18(17)24-4/h5-8,15H,9-14H2,1-4H3,(H,20,23)
InChIKeyIUQZNVRVSRLTDP-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.64
Rot. Bonds10

About 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide

3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide (PubChem CID 113121259) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
PubChem CID113121259
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
SMILESCOc1ccccc1CCN(CCC(=O)NCCC(C)C)C(C)=O
InChIInChI=1S/C19H30N2O3/c1-15(2)9-12-20-19(23)11-14-21(16(3)22)13-10-17-7-5-6-8-18(17)24-4/h5-8,15H,9-14H2,1-4H3,(H,20,23)
InChIKeyIUQZNVRVSRLTDP-UHFFFAOYSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
CID 113055809
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide
CID 113055835
3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113118224
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113121305
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
CID 113055840
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113056855
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113164495
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
CID 113121299
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113119718
3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
CID 113122843

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide (CID 113121259) is 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide is COc1ccccc1CCN(CCC(=O)NCCC(C)C)C(C)=O.
What is the InChIKey of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide?
The InChIKey is IUQZNVRVSRLTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(2)9-12-20-19(23)11-14-21(16(3)22)13-10-17-7-5-6-8-18(17)24-4/h5-8,15H,9-14H2,1-4H3,(H,20,23).
What are the key properties of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide?
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide has a molecular weight of 334.46 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 113121259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).