2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide

C15H20N4O — CID 106312735

IUPAC2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCCCc2ncc[nH]2)cc1
InChIInChI=1S/C15H20N4O/c1-11-4-6-12(7-5-11)14(16)15(20)19-8-2-3-13-17-9-10-18-13/h4-7,9-10,14H,2-3,8,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyYWKMBGSXGLJEET-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.47
Rot. Bonds6

About 2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide

2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide (PubChem CID 106312735) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide
PubChem CID106312735
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCCCc2ncc[nH]2)cc1
InChIInChI=1S/C15H20N4O/c1-11-4-6-12(7-5-11)14(16)15(20)19-8-2-3-13-17-9-10-18-13/h4-7,9-10,14H,2-3,8,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyYWKMBGSXGLJEET-UHFFFAOYSA-N
XLogP1.47
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669473
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
(2R)-2-amino-N-(1H-imidazol-2-ylmethyl)-2-phenylacetamide
CID 64529573
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312421
2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669868
2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride
CID 120670104
1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 74234942
2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
CID 106312957
2-amino-2-(4-methylphenyl)-N-(5-methylsulfanylpentyl)acetamide
CID 106312958
N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine
CID 67833845
2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride
CID 120669782
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
CID 106151202

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide (CID 106312735) is 2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NCCCc2ncc[nH]2)cc1.
What is the InChIKey of 2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide?
The InChIKey is YWKMBGSXGLJEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-4-6-12(7-5-11)14(16)15(20)19-8-2-3-13-17-9-10-18-13/h4-7,9-10,14H,2-3,8,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106312735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).