3,5-diamino-N-(4-hydroxypentyl)benzamide

C12H19N3O2 — CID 114145961

IUPAC3,5-diamino-N-(4-hydroxypentyl)benzamide
SMILESCC(O)CCCNC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C12H19N3O2/c1-8(16)3-2-4-15-12(17)9-5-10(13)7-11(14)6-9/h5-8,16H,2-4,13-14H2,1H3,(H,15,17)
InChIKeyWROBAAWXKXKILX-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.74
Rot. Bonds5

About 3,5-diamino-N-(4-hydroxypentyl)benzamide

3,5-diamino-N-(4-hydroxypentyl)benzamide (PubChem CID 114145961) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3,5-diamino-N-(4-hydroxypentyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(4-hydroxypentyl)benzamide
PubChem CID114145961
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3,5-diamino-N-(4-hydroxypentyl)benzamide
SMILESCC(O)CCCNC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C12H19N3O2/c1-8(16)3-2-4-15-12(17)9-5-10(13)7-11(14)6-9/h5-8,16H,2-4,13-14H2,1H3,(H,15,17)
InChIKeyWROBAAWXKXKILX-UHFFFAOYSA-N
XLogP0.74
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-diamino-N-(4-hydroxypentyl)benzamide 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

3-amino-N-(4-hydroxypentyl)-5-methylsulfonylbenzamide
CID 106118882
3,5-diamino-N-propylbenzamide
CID 20701636
3,5-diamino-N-hexadecylbenzamide
CID 54469516
3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
CID 81091443
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 106118881
4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 106134450
3-amino-5-iodo-N-(5-methylhexyl)benzamide
CID 112750898
N-(4-aminopentyl)-3,5-dimethylbenzamide
CID 114146406
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737
4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide
CID 107300353
2-amino-4,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 106118883

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(4-hydroxypentyl)benzamide?
The IUPAC name of 3,5-diamino-N-(4-hydroxypentyl)benzamide (CID 114145961) is 3,5-diamino-N-(4-hydroxypentyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(4-hydroxypentyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(4-hydroxypentyl)benzamide is CC(O)CCCNC(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-(4-hydroxypentyl)benzamide?
The InChIKey is WROBAAWXKXKILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(16)3-2-4-15-12(17)9-5-10(13)7-11(14)6-9/h5-8,16H,2-4,13-14H2,1H3,(H,15,17).
What are the key properties of 3,5-diamino-N-(4-hydroxypentyl)benzamide?
3,5-diamino-N-(4-hydroxypentyl)benzamide has a molecular weight of 237.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(4-hydroxypentyl)benzamide is sourced from PubChem (CID 114145961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).