N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide

C15H24N2O2 — CID 112514935

IUPACN-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide
SMILESCNCCC(=O)NC(C)c1ccc(OC)c(C)c1C
InChIInChI=1S/C15H24N2O2/c1-10-11(2)14(19-5)7-6-13(10)12(3)17-15(18)8-9-16-4/h6-7,12,16H,8-9H2,1-5H3,(H,17,18)
InChIKeyLECPFFYLCRQFCO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.10
Rot. Bonds6

About N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide

N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide (PubChem CID 112514935) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide
PubChem CID112514935
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide
SMILESCNCCC(=O)NC(C)c1ccc(OC)c(C)c1C
InChIInChI=1S/C15H24N2O2/c1-10-11(2)14(19-5)7-6-13(10)12(3)17-15(18)8-9-16-4/h6-7,12,16H,8-9H2,1-5H3,(H,17,18)
InChIKeyLECPFFYLCRQFCO-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide
CID 112515048
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81387871
N-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]-3-(methylamino)propanamide
CID 112514936
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 62834607
3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51078699
N-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630855
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9262362
1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949463
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-3-(methylamino)propanamide
CID 115153227
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide?
The IUPAC name of N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide (CID 112514935) is N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide.
What is the SMILES notation for N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide?
The canonical SMILES for N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide is CNCCC(=O)NC(C)c1ccc(OC)c(C)c1C.
What is the InChIKey of N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide?
The InChIKey is LECPFFYLCRQFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-11(2)14(19-5)7-6-13(10)12(3)17-15(18)8-9-16-4/h6-7,12,16H,8-9H2,1-5H3,(H,17,18).
What are the key properties of N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide?
N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide is sourced from PubChem (CID 112514935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).