N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide

C19H32N4O3 — CID 11562024

IUPACN-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide
SMILESCN(C)c1ccc(CNCCCCNC(=O)CCCCC(=O)NO)cc1
InChIInChI=1S/C19H32N4O3/c1-23(2)17-11-9-16(10-12-17)15-20-13-5-6-14-21-18(24)7-3-4-8-19(25)22-26/h9-12,20,26H,3-8,13-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySPNQTYGAZJBXCR-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.80
Rot. Bonds13

About N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide

N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide (PubChem CID 11562024) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide
PubChem CID11562024
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC NameN-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide
SMILESCN(C)c1ccc(CNCCCCNC(=O)CCCCC(=O)NO)cc1
InChIInChI=1S/C19H32N4O3/c1-23(2)17-11-9-16(10-12-17)15-20-13-5-6-14-21-18(24)7-3-4-8-19(25)22-26/h9-12,20,26H,3-8,13-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySPNQTYGAZJBXCR-UHFFFAOYSA-N
XLogP1.80
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-[(4-tert-butylphenyl)methylamino]butylamino]propyl]-N'-hydroxynonanediamide;dihydrobromide
CID 24854578
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CID 3811
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine
CID 3029601
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine;tetrahydrochloride
CID 3029600
3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide
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N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide
CID 78922185
N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide
CID 61248604
N-[[4-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid
CID 57495425
N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride
CID 17290940
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide?
The IUPAC name of N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide (CID 11562024) is N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide is CN(C)c1ccc(CNCCCCNC(=O)CCCCC(=O)NO)cc1.
What is the InChIKey of N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide?
The InChIKey is SPNQTYGAZJBXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-23(2)17-11-9-16(10-12-17)15-20-13-5-6-14-21-18(24)7-3-4-8-19(25)22-26/h9-12,20,26H,3-8,13-15H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide?
N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide has a molecular weight of 364.49 g/mol, XLogP of 1.80, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide is sourced from PubChem (CID 11562024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).