[N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate

C23H37N5O2 — CID 143585536

IUPAC[N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate
SMILES[H]/N=C(\O/C(N)=N/CCCCN(CC)CC)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C23H37N5O2/c1-3-28(4-2)17-9-8-16-26-23(25)30-21(24)18-12-14-20(15-13-18)27-22(29)19-10-6-5-7-11-19/h12-15,19,24H,3-11,16-17H2,1-2H3,(H2,25,26)(H,27,29)/b24-21-
InChIKeyNWGWRNJLGVEINC-FLFQWRMESA-N
MW415.58 g/mol
LogP3.98
Rot. Bonds10

About [N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate

[N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate (PubChem CID 143585536) has the molecular formula C23H37N5O2 and a molecular weight of 415.58 g/mol. Its IUPAC name is [N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate.

Molecular Properties

Compound Name[N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate
PubChem CID143585536
Molecular FormulaC23H37N5O2
Molecular Weight415.58 g/mol
Exact Mass415.29
IUPAC Name[N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate
SMILES[H]/N=C(\O/C(N)=N/CCCCN(CC)CC)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C23H37N5O2/c1-3-28(4-2)17-9-8-16-26-23(25)30-21(24)18-12-14-20(15-13-18)27-22(29)19-10-6-5-7-11-19/h12-15,19,24H,3-11,16-17H2,1-2H3,(H2,25,26)(H,27,29)/b24-21-
InChIKeyNWGWRNJLGVEINC-FLFQWRMESA-N
XLogP3.98
TPSA103.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze [N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
4-(cyclohexanecarbonylamino)-N,N-dipropylbenzamide
CID 17196139
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145889
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide
CID 6219246
4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 4509760
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide
CID 43369242
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
4-(cyclopropanecarbonylamino)-N,N-dipropylbenzamide
CID 17196138
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830
ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149492
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197

Frequently Asked Questions

What is the IUPAC name of [N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate?
The IUPAC name of [N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate (CID 143585536) is [N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate.
What is the SMILES notation for [N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate?
The canonical SMILES for [N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate is [H]/N=C(\O/C(N)=N/CCCCN(CC)CC)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of [N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate?
The InChIKey is NWGWRNJLGVEINC-FLFQWRMESA-N. The full InChI is InChI=1S/C23H37N5O2/c1-3-28(4-2)17-9-8-16-26-23(25)30-21(24)18-12-14-20(15-13-18)27-22(29)19-10-6-5-7-11-19/h12-15,19,24H,3-11,16-17H2,1-2H3,(H2,25,26)(H,27,29)/b24-21-.
What are the key properties of [N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate?
[N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate has a molecular weight of 415.58 g/mol, XLogP of 3.98, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [N'-[4-(diethylamino)butyl]carbamimidoyl] 4-(cyclohexanecarbonylamino)benzenecarboximidate is sourced from PubChem (CID 143585536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).