N-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide

C12H22N2O4 — CID 145020426

IUPACN-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide
SMILESCCC(=O)N(O)CCCCCNC(=O)CCC=O
InChIInChI=1S/C12H22N2O4/c1-2-12(17)14(18)9-5-3-4-8-13-11(16)7-6-10-15/h10,18H,2-9H2,1H3,(H,13,16)
InChIKeyDUORIMWOHCLTTM-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.88
Rot. Bonds10

About N-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide

N-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide (PubChem CID 145020426) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide
PubChem CID145020426
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC NameN-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide
SMILESCCC(=O)N(O)CCCCCNC(=O)CCC=O
InChIInChI=1S/C12H22N2O4/c1-2-12(17)14(18)9-5-3-4-8-13-11(16)7-6-10-15/h10,18H,2-9H2,1H3,(H,13,16)
InChIKeyDUORIMWOHCLTTM-UHFFFAOYSA-N
XLogP0.88
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(diethylamino)propyl]-4-oxobutanamide
CID 87316109
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(propylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 101086377
N-[2-[2-(hexadecanoylamino)ethyl-[2-(4-oxobutanoylamino)ethyl]amino]ethyl]hexadecanamide
CID 58422822
4-[hydroxy-[5-[[4-[hydroxy(5-hydroxypentyl)amino]-4-oxobutanoyl]amino]pentyl]amino]-4-oxobutanoic acid
CID 71613703
N'-[5-[[4-[5-acetamidopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxybutanediamide
CID 10008761
14-oxo-N-pentadecyltetradecanamide
CID 90756507
4-[5-[[4-[5-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoic acid
CID 175663380
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(hydroxyamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 10257560
N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 160650527
(4-oxobutanoylamino) 8-(octanoylamino)octanoate
CID 123384536
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 154585411
N-(5-acetamidopentyl)-N'-[5-[[4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 175363738

Frequently Asked Questions

What is the IUPAC name of N-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide?
The IUPAC name of N-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide (CID 145020426) is N-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide.
What is the SMILES notation for N-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide?
The canonical SMILES for N-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide is CCC(=O)N(O)CCCCCNC(=O)CCC=O.
What is the InChIKey of N-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide?
The InChIKey is DUORIMWOHCLTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-12(17)14(18)9-5-3-4-8-13-11(16)7-6-10-15/h10,18H,2-9H2,1H3,(H,13,16).
What are the key properties of N-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide?
N-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide has a molecular weight of 258.32 g/mol, XLogP of 0.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide is sourced from PubChem (CID 145020426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).