N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide

C13H24N4O — CID 54927698

IUPACN-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C13H24N4O/c1-11(2)15-6-4-5-13(18)16-12(3)9-17-8-7-14-10-17/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyMZHPHDNZVVNGAD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.17
Rot. Bonds8

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

N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide (PubChem CID 54927698) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
PubChem CID54927698
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C13H24N4O/c1-11(2)15-6-4-5-13(18)16-12(3)9-17-8-7-14-10-17/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyMZHPHDNZVVNGAD-UHFFFAOYSA-N
XLogP1.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.17
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

5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107908503
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
methyl 4-(1-imidazol-1-ylpropan-2-ylamino)butanoate
CID 61479528
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
4-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957773
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
CID 62324788
N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
CID 115283469
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
N-(1-imidazol-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 55683150
N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide
CID 103614931
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide (CID 54927698) is N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NC(C)Cn1ccnc1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide?
The InChIKey is MZHPHDNZVVNGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)15-6-4-5-13(18)16-12(3)9-17-8-7-14-10-17/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide?
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide has a molecular weight of 252.36 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 54927698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).