2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide

C15H25N3O — CID 103101288

IUPAC2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide
SMILESCCC(N)C(c1cccc(C)c1)N(CC)CC(N)=O
InChIInChI=1S/C15H25N3O/c1-4-13(16)15(18(5-2)10-14(17)19)12-8-6-7-11(3)9-12/h6-9,13,15H,4-5,10,16H2,1-3H3,(H2,17,19)
InChIKeyNGCYBLRTAIBQOK-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.58
Rot. Bonds7

About 2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide

2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide (PubChem CID 103101288) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide
PubChem CID103101288
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide
SMILESCCC(N)C(c1cccc(C)c1)N(CC)CC(N)=O
InChIInChI=1S/C15H25N3O/c1-4-13(16)15(18(5-2)10-14(17)19)12-8-6-7-11(3)9-12/h6-9,13,15H,4-5,10,16H2,1-3H3,(H2,17,19)
InChIKeyNGCYBLRTAIBQOK-UHFFFAOYSA-N
XLogP1.58
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide
CID 103101362
2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide
CID 55020220
3-(diethylamino)-3-(3-methylphenyl)propanoic acid
CID 64526213
1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine
CID 79477378
1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine
CID 55020794
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
ethyl (2R)-2-amino-2-(3-methylphenyl)acetate
CID 93311210
1-N-methyl-1-N-(4-methylcyclohexyl)-1-(3-methylphenyl)butane-1,2-diamine
CID 63406157
1-N-methyl-1-(3-methylphenyl)-1-N-(2-methylsulfanylethyl)butane-1,2-diamine
CID 112657487
N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308741
2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62922758
1-N-(cyclobutylmethyl)-1-N-methyl-1-(3-methylphenyl)butane-1,2-diamine
CID 62861456

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide?
The IUPAC name of 2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide (CID 103101288) is 2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide.
What is the SMILES notation for 2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide?
The canonical SMILES for 2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide is CCC(N)C(c1cccc(C)c1)N(CC)CC(N)=O.
What is the InChIKey of 2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide?
The InChIKey is NGCYBLRTAIBQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-13(16)15(18(5-2)10-14(17)19)12-8-6-7-11(3)9-12/h6-9,13,15H,4-5,10,16H2,1-3H3,(H2,17,19).
What are the key properties of 2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide?
2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide is sourced from PubChem (CID 103101288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).