N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide

C19H29N3O4 — CID 126539842

IUPACN'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide
SMILESCNC(=O)CCCc1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C19H29N3O4/c1-20-17(23)10-6-7-15-11-13-16(14-12-15)21-18(24)8-4-2-3-5-9-19(25)22-26/h11-14,26H,2-10H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyRGUJKANBSDSPER-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.54
Rot. Bonds12

About N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide

N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide (PubChem CID 126539842) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide
PubChem CID126539842
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC NameN'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide
SMILESCNC(=O)CCCc1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C19H29N3O4/c1-20-17(23)10-6-7-15-11-13-16(14-12-15)21-18(24)8-4-2-3-5-9-19(25)22-26/h11-14,26H,2-10H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyRGUJKANBSDSPER-UHFFFAOYSA-N
XLogP2.54
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(4-heptylphenyl)heptanamide
CID 101077737
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide
CID 166628013
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-methyl-9-phenylnonanamide
CID 118028570
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
4-(4-iodophenyl)-N-methylbutanamide
CID 148600520
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
4-(4-bromophenyl)-N-hydroxybutanamide
CID 139305557
[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate
CID 175537934
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098
6-[4-(4-ethylphenyl)phenyl]-N-hydroxyhexanamide
CID 142170347

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide?
The IUPAC name of N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide (CID 126539842) is N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide?
The canonical SMILES for N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide is CNC(=O)CCCc1ccc(NC(=O)CCCCCCC(=O)NO)cc1.
What is the InChIKey of N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide?
The InChIKey is RGUJKANBSDSPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-20-17(23)10-6-7-15-11-13-16(14-12-15)21-18(24)8-4-2-3-5-9-19(25)22-26/h11-14,26H,2-10H2,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide?
N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide has a molecular weight of 363.46 g/mol, XLogP of 2.54, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide is sourced from PubChem (CID 126539842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).