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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Related Compounds

2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide
CID 103101288
1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine
CID 79477378
4-(3-methylphenyl)pentan-2-amine
CID 64719404
ethyl (2R)-2-amino-2-(3-methylphenyl)acetate
CID 93311210
(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209879
ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine
CID 156724875
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide
CID 82978295
(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride
CID 171209897
2-(3-methylphenyl)propan-1-ol
CID 21478686
3-(3-methylphenyl)-2-oxobutanoic acid
CID 15158864
2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
CID 24730259

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).