3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide

C16H26N2O2 — CID 109021987

IUPAC3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCCCCN(C)CCC(=O)NCc1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-4-5-11-18(2)12-10-16(19)17-13-14-8-6-7-9-15(14)20-3/h6-9H,4-5,10-13H2,1-3H3,(H,17,19)
InChIKeyQGSVIJSMPDYSPX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.43
Rot. Bonds9

About 3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide

3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 109021987) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID109021987
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCCCCN(C)CCC(=O)NCc1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-4-5-11-18(2)12-10-16(19)17-13-14-8-6-7-9-15(14)20-3/h6-9H,4-5,10-13H2,1-3H3,(H,17,19)
InChIKeyQGSVIJSMPDYSPX-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113136668
N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109021958
3-[acetyl(butan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116141
tridecyl 5-[(2-methoxyphenyl)methylamino]-5-oxopentanoate
CID 91715527
N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110838955
4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047373
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113138110
3-[tert-butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113140802
N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108995055
3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116340
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113118403

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide (CID 109021987) is 3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide is CCCCN(C)CCC(=O)NCc1ccccc1OC.
What is the InChIKey of 3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is QGSVIJSMPDYSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-11-18(2)12-10-16(19)17-13-14-8-6-7-9-15(14)20-3/h6-9H,4-5,10-13H2,1-3H3,(H,17,19).
What are the key properties of 3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 109021987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).