6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide

C19H30FN5O2 — CID 10595892

IUPAC6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide
SMILESNC(N)=NCCCCCC(=O)NCCCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H30FN5O2/c20-16-9-7-15(8-10-16)14-18(27)24-12-5-4-11-23-17(26)6-2-1-3-13-25-19(21)22/h7-10H,1-6,11-14H2,(H,23,26)(H,24,27)(H4,21,22,25)
InChIKeySSNBZNZRPNNFRJ-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.21
Rot. Bonds13

About 6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide

6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide (PubChem CID 10595892) has the molecular formula C19H30FN5O2 and a molecular weight of 379.48 g/mol. Its IUPAC name is 6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide.

Molecular Properties

Compound Name6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide
PubChem CID10595892
Molecular FormulaC19H30FN5O2
Molecular Weight379.48 g/mol
Exact Mass379.24
IUPAC Name6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide
SMILESNC(N)=NCCCCCC(=O)NCCCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H30FN5O2/c20-16-9-7-15(8-10-16)14-18(27)24-12-5-4-11-23-17(26)6-2-1-3-13-25-19(21)22/h7-10H,1-6,11-14H2,(H,23,26)(H,24,27)(H4,21,22,25)
InChIKeySSNBZNZRPNNFRJ-UHFFFAOYSA-N
XLogP1.21
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.21
H-Bond Donors ≤ 54
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'}

Analyze 6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide 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

6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide
CID 62666877
2-[4-(4-fluorophenyl)butyl]guanidine
CID 95440579
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111091948
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324
5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide
CID 106237086
N-[5-(diaminomethylideneamino)pentyl]benzamide
CID 21298945
2-(4-fluorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100706292

Frequently Asked Questions

What is the IUPAC name of 6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide?
The IUPAC name of 6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide (CID 10595892) is 6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide.
What is the SMILES notation for 6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide?
The canonical SMILES for 6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide is NC(N)=NCCCCCC(=O)NCCCCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide?
The InChIKey is SSNBZNZRPNNFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN5O2/c20-16-9-7-15(8-10-16)14-18(27)24-12-5-4-11-23-17(26)6-2-1-3-13-25-19(21)22/h7-10H,1-6,11-14H2,(H,23,26)(H,24,27)(H4,21,22,25).
What are the key properties of 6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide?
6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide has a molecular weight of 379.48 g/mol, XLogP of 1.21, 13 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide is sourced from PubChem (CID 10595892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).