N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide

C14H18N4O — CID 60842536

IUPACN-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C14H18N4O/c1-11(2)16-9-14(19)17-12-5-3-4-6-13(12)18-8-7-15-10-18/h3-8,10-11,16H,9H2,1-2H3,(H,17,19)
InChIKeyOUWWAASSCNMYIQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.81
Rot. Bonds5

About N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide

N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 60842536) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID60842536
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C14H18N4O/c1-11(2)16-9-14(19)17-12-5-3-4-6-13(12)18-8-7-15-10-18/h3-8,10-11,16H,9H2,1-2H3,(H,17,19)
InChIKeyOUWWAASSCNMYIQ-UHFFFAOYSA-N
XLogP1.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide (CID 60842536) is N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1ccccc1-n1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is OUWWAASSCNMYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(2)16-9-14(19)17-12-5-3-4-6-13(12)18-8-7-15-10-18/h3-8,10-11,16H,9H2,1-2H3,(H,17,19).
What are the key properties of N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide?
N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60842536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).