2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide

C14H23N3O2 — CID 55016146

IUPAC2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide
SMILESCCC(N)C(c1ccc(OC)cc1)N(C)CC(N)=O
InChIInChI=1S/C14H23N3O2/c1-4-12(15)14(17(2)9-13(16)18)10-5-7-11(19-3)8-6-10/h5-8,12,14H,4,9,15H2,1-3H3,(H2,16,18)
InChIKeyQCFLCAJPKYDCBH-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.89
Rot. Bonds7

About 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide

2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide (PubChem CID 55016146) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide
PubChem CID55016146
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide
SMILESCCC(N)C(c1ccc(OC)cc1)N(C)CC(N)=O
InChIInChI=1S/C14H23N3O2/c1-4-12(15)14(17(2)9-13(16)18)10-5-7-11(19-3)8-6-10/h5-8,12,14H,4,9,15H2,1-3H3,(H2,16,18)
InChIKeyQCFLCAJPKYDCBH-UHFFFAOYSA-N
XLogP0.89
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide
CID 103101362
1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55016003
2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol
CID 104551290
1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55015809
2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide
CID 55016193
(2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
CID 100694823
N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
CID 119039574
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003
(2S)-2-amino-2-(4-methoxyphenyl)acetamide
CID 54341108
1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82733107
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide?
The IUPAC name of 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide (CID 55016146) is 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide?
The canonical SMILES for 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide is CCC(N)C(c1ccc(OC)cc1)N(C)CC(N)=O.
What is the InChIKey of 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide?
The InChIKey is QCFLCAJPKYDCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-12(15)14(17(2)9-13(16)18)10-5-7-11(19-3)8-6-10/h5-8,12,14H,4,9,15H2,1-3H3,(H2,16,18).
What are the key properties of 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide?
2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide is sourced from PubChem (CID 55016146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).