N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide

C15H24N2O2 — CID 115916566

IUPACN-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(C)C(C)OC)c1C
InChIInChI=1S/C15H24N2O2/c1-6-15(18)17-14-9-7-8-13(10(14)2)16-11(3)12(4)19-5/h7-9,11-12,16H,6H2,1-5H3,(H,17,18)
InChIKeyXGBHDZDKSSAOIH-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.18
Rot. Bonds6

About N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide

N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide (PubChem CID 115916566) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide
PubChem CID115916566
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(C)C(C)OC)c1C
InChIInChI=1S/C15H24N2O2/c1-6-15(18)17-14-9-7-8-13(10(14)2)16-11(3)12(4)19-5/h7-9,11-12,16H,6H2,1-5H3,(H,17,18)
InChIKeyXGBHDZDKSSAOIH-UHFFFAOYSA-N
XLogP3.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide
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N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]-2-methylphenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide?
The IUPAC name of N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide (CID 115916566) is N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide is CCC(=O)Nc1cccc(NC(C)C(C)OC)c1C.
What is the InChIKey of N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide?
The InChIKey is XGBHDZDKSSAOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-15(18)17-14-9-7-8-13(10(14)2)16-11(3)12(4)19-5/h7-9,11-12,16H,6H2,1-5H3,(H,17,18).
What are the key properties of N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide?
N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide has a molecular weight of 264.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide is sourced from PubChem (CID 115916566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).