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

C15H25N3O2 — CID 103101362

IUPAC2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide
SMILESCCC(N)C(c1ccc(OC)cc1)N(CC)CC(N)=O
InChIInChI=1S/C15H25N3O2/c1-4-13(16)15(18(5-2)10-14(17)19)11-6-8-12(20-3)9-7-11/h6-9,13,15H,4-5,10,16H2,1-3H3,(H2,17,19)
InChIKeyOYBBVNBQABMGPK-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.28
Rot. Bonds8

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

2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide (PubChem CID 103101362) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide
PubChem CID103101362
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide
SMILESCCC(N)C(c1ccc(OC)cc1)N(CC)CC(N)=O
InChIInChI=1S/C15H25N3O2/c1-4-13(16)15(18(5-2)10-14(17)19)11-6-8-12(20-3)9-7-11/h6-9,13,15H,4-5,10,16H2,1-3H3,(H2,17,19)
InChIKeyOYBBVNBQABMGPK-UHFFFAOYSA-N
XLogP1.28
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide
CID 55016146
2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide
CID 103101288
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
(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
1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55015809
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 163303603
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide
CID 55015522
2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide?
The IUPAC name of 2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide (CID 103101362) is 2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide.
What is the SMILES notation for 2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide?
The canonical SMILES for 2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide is CCC(N)C(c1ccc(OC)cc1)N(CC)CC(N)=O.
What is the InChIKey of 2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide?
The InChIKey is OYBBVNBQABMGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-13(16)15(18(5-2)10-14(17)19)11-6-8-12(20-3)9-7-11/h6-9,13,15H,4-5,10,16H2,1-3H3,(H2,17,19).
What are the key properties of 2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide?
2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.28, 8 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]-ethylamino]acetamide is sourced from PubChem (CID 103101362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).