3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide

C15H24N2O2 — CID 115154347

IUPAC3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
SMILESCOc1ccc(CCNC(=O)CC(C)N)c(C)c1C
InChIInChI=1S/C15H24N2O2/c1-10(16)9-15(18)17-8-7-13-5-6-14(19-4)12(3)11(13)2/h5-6,10H,7-9,16H2,1-4H3,(H,17,18)
InChIKeyJPADVLVDUUEMKA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.71
Rot. Bonds6

About 3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide

3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide (PubChem CID 115154347) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
PubChem CID115154347
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
SMILESCOc1ccc(CCNC(=O)CC(C)N)c(C)c1C
InChIInChI=1S/C15H24N2O2/c1-10(16)9-15(18)17-8-7-13-5-6-14(19-4)12(3)11(13)2/h5-6,10H,7-9,16H2,1-4H3,(H,17,18)
InChIKeyJPADVLVDUUEMKA-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide
CID 115154202
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
4-hydroxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
CID 115163104
1-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butane-1,3-diamine
CID 115199539
3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide
CID 119747528
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
3-amino-N-(2-naphthalen-1-ylethyl)butanamide
CID 115154377
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
CID 115154307
2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid
CID 115128091
2-(4-methoxy-2,3-dimethylphenyl)-N-(3-methoxypropyl)acetamide
CID 110769636
5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide
CID 10689023

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide (CID 115154347) is 3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide is COc1ccc(CCNC(=O)CC(C)N)c(C)c1C.
What is the InChIKey of 3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide?
The InChIKey is JPADVLVDUUEMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(16)9-15(18)17-8-7-13-5-6-14(19-4)12(3)11(13)2/h5-6,10H,7-9,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide?
3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide is sourced from PubChem (CID 115154347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).