N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide

C23H29N5O2 — CID 142215652

IUPACN-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide
SMILES[H]/N=C(\N)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(/C(C)=N/[H])cc2)cc1
InChIInChI=1S/C23H29N5O2/c1-16(24)17-6-10-19(11-7-17)22(29)27-14-4-2-3-5-15-28-23(30)20-12-8-18(9-13-20)21(25)26/h6-13,24H,2-5,14-15H2,1H3,(H3,25,26)(H,27,29)(H,28,30)/b24-16+
InChIKeyIUZBPXNKGBLOER-LFVJCYFKSA-N
MW407.52 g/mol
LogP3.08
Rot. Bonds11

About N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide

N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide (PubChem CID 142215652) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide.

Molecular Properties

Compound NameN-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide
PubChem CID142215652
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide
SMILES[H]/N=C(\N)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(/C(C)=N/[H])cc2)cc1
InChIInChI=1S/C23H29N5O2/c1-16(24)17-6-10-19(11-7-17)22(29)27-14-4-2-3-5-15-28-23(30)20-12-8-18(9-13-20)21(25)26/h6-13,24H,2-5,14-15H2,1H3,(H3,25,26)(H,27,29)(H,28,30)/b24-16+
InChIKeyIUZBPXNKGBLOER-LFVJCYFKSA-N
XLogP3.08
TPSA131.92 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide
CID 142215662
4-[9-[(4-carbamimidoylbenzoyl)amino]nonylcarbamoyl]benzoic acid
CID 11465154
4-ethanimidoylbenzenecarboximidamide
CID 148687988
4-[6-[(4-ethanimidoylphenyl)sulfonylamino]hexylsulfamoyl]benzenecarboximidamide
CID 142215650
4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 20641922
4-[7-(4-carbamimidoylanilino)heptylamino]benzenecarboximidamide
CID 122182389
N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 16744801
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-acetyl-N-[6-(methylamino)hexyl]benzamide
CID 54472432
acetic acid;N-[6-(4-carbamimidoylphenoxy)hexyl]-2,4-dihydroxy-6-methylbenzamide
CID 166631428
acetic acid;N-[12-(4-carbamimidoylphenoxy)dodecyl]-2,4-dihydroxy-6-methylbenzamide
CID 166634440
4-acetyl-N-(6-oxoheptyl)benzamide
CID 59029593

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide?
The IUPAC name of N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide (CID 142215652) is N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide.
What is the SMILES notation for N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide?
The canonical SMILES for N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide is [H]/N=C(\N)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(/C(C)=N/[H])cc2)cc1.
What is the InChIKey of N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide?
The InChIKey is IUZBPXNKGBLOER-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16(24)17-6-10-19(11-7-17)22(29)27-14-4-2-3-5-15-28-23(30)20-12-8-18(9-13-20)21(25)26/h6-13,24H,2-5,14-15H2,1H3,(H3,25,26)(H,27,29)(H,28,30)/b24-16+.
What are the key properties of N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide?
N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide has a molecular weight of 407.52 g/mol, XLogP of 3.08, 11 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide is sourced from PubChem (CID 142215652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).