4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide

C17H29N5O — CID 25149515

IUPAC4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)CCCC1CCCCC1
InChIInChI=1S/C17H29N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h12-14H,1-11H2,(H,19,21)(H3,18,20,22,23)
InChIKeyWKXIZVSDLMORMY-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.52
Rot. Bonds8

About 4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide

4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide (PubChem CID 25149515) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide
PubChem CID25149515
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)CCCC1CCCCC1
InChIInChI=1S/C17H29N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h12-14H,1-11H2,(H,19,21)(H3,18,20,22,23)
InChIKeyWKXIZVSDLMORMY-UHFFFAOYSA-N
XLogP2.52
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide?
The IUPAC name of 4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide (CID 25149515) is 4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide is N/C(=N\CCCc1cnc[nH]1)NC(=O)CCCC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide?
The InChIKey is WKXIZVSDLMORMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h12-14H,1-11H2,(H,19,21)(H3,18,20,22,23).
What are the key properties of 4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide?
4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide has a molecular weight of 319.45 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide is sourced from PubChem (CID 25149515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).