N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide

C16H22N4O — CID 60849200

IUPACN-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C16H22N4O/c1-13(2)18-9-5-8-16(21)19-14-6-3-4-7-15(14)20-11-10-17-12-20/h3-4,6-7,10-13,18H,5,8-9H2,1-2H3,(H,19,21)
InChIKeyUZUNBAMDYAZFAG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.59
Rot. Bonds7

About N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide

N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide (PubChem CID 60849200) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide
PubChem CID60849200
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C16H22N4O/c1-13(2)18-9-5-8-16(21)19-14-6-3-4-7-15(14)20-11-10-17-12-20/h3-4,6-7,10-13,18H,5,8-9H2,1-2H3,(H,19,21)
InChIKeyUZUNBAMDYAZFAG-UHFFFAOYSA-N
XLogP2.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842536
N-(2-imidazol-1-ylphenyl)decanamide
CID 12911522
N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850282
N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119844180
3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 60854707
2-(1-hydroxycyclohexyl)-N-(2-imidazol-1-ylphenyl)acetamide
CID 111331811
N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide
CID 81257478
3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide
CID 55912025
N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
CID 12911535
N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 54927933
N-(2-imidazol-1-ylphenyl)-4-methylbenzamide
CID 12911544
4-(propan-2-ylamino)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379540

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide (CID 60849200) is N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)Nc1ccccc1-n1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is UZUNBAMDYAZFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(2)18-9-5-8-16(21)19-14-6-3-4-7-15(14)20-11-10-17-12-20/h3-4,6-7,10-13,18H,5,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide?
N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 286.38 g/mol, XLogP of 2.59, 7 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)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60849200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).