2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide

C15H25N3O — CID 55020220

IUPAC2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide
SMILESCc1cccc(C(C(C)N)N(CC(N)=O)C(C)C)c1
InChIInChI=1S/C15H25N3O/c1-10(2)18(9-14(17)19)15(12(4)16)13-7-5-6-11(3)8-13/h5-8,10,12,15H,9,16H2,1-4H3,(H2,17,19)
InChIKeyWIULPDPPHJPSEQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.58
Rot. Bonds6

About 2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide

2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide (PubChem CID 55020220) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide
PubChem CID55020220
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide
SMILESCc1cccc(C(C(C)N)N(CC(N)=O)C(C)C)c1
InChIInChI=1S/C15H25N3O/c1-10(2)18(9-14(17)19)15(12(4)16)13-7-5-6-11(3)8-13/h5-8,10,12,15H,9,16H2,1-4H3,(H2,17,19)
InChIKeyWIULPDPPHJPSEQ-UHFFFAOYSA-N
XLogP1.58
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide (CID 55020220) is 2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide is Cc1cccc(C(C(C)N)N(CC(N)=O)C(C)C)c1.
What is the InChIKey of 2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide?
The InChIKey is WIULPDPPHJPSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)18(9-14(17)19)15(12(4)16)13-7-5-6-11(3)8-13/h5-8,10,12,15H,9,16H2,1-4H3,(H2,17,19).
What are the key properties of 2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide?
2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.58, 6 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)propyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 55020220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).