N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide

C13H24N4O — CID 54961391

IUPACN-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide
SMILESCCC(C)NC(=O)CCNCCCn1ccnc1
InChIInChI=1S/C13H24N4O/c1-3-12(2)16-13(18)5-7-14-6-4-9-17-10-8-15-11-17/h8,10-12,14H,3-7,9H2,1-2H3,(H,16,18)
InChIKeyUNDVNTIBRYAWLM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.17
Rot. Bonds9

About N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide

N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide (PubChem CID 54961391) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide
PubChem CID54961391
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide
SMILESCCC(C)NC(=O)CCNCCCn1ccnc1
InChIInChI=1S/C13H24N4O/c1-3-12(2)16-13(18)5-7-14-6-4-9-17-10-8-15-11-17/h8,10-12,14H,3-7,9H2,1-2H3,(H,16,18)
InChIKeyUNDVNTIBRYAWLM-UHFFFAOYSA-N
XLogP1.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide
CID 62625374
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
CID 115283469
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 60695215
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
methyl (2S)-3-(3-imidazol-1-ylpropylamino)-2-methylpropanoate
CID 94133695
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107908503
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
N-[(2R)-1-hydroxybutan-2-yl]-3-imidazol-1-ylpropanamide
CID 103919885
3-imidazol-1-yl-N-(2-methylsulfanylethyl)propan-1-amine
CID 60685316
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide?
The IUPAC name of N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide (CID 54961391) is N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide is CCC(C)NC(=O)CCNCCCn1ccnc1.
What is the InChIKey of N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide?
The InChIKey is UNDVNTIBRYAWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-12(2)16-13(18)5-7-14-6-4-9-17-10-8-15-11-17/h8,10-12,14H,3-7,9H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide?
N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide is sourced from PubChem (CID 54961391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).