N,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide

C9H18N2O5 — CID 88936523

IUPACN,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide
SMILESCN(O)C(=O)CCC(O)NC(=O)CCCO
InChIInChI=1S/C9H18N2O5/c1-11(16)9(15)5-4-8(14)10-7(13)3-2-6-12/h8,12,14,16H,2-6H2,1H3,(H,10,13)
InChIKeyFRWNRLFRILZSLP-UHFFFAOYSA-N
MW234.25 g/mol
LogP-1.18
Rot. Bonds7

About N,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide

N,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide (PubChem CID 88936523) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is N,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide.

Molecular Properties

Compound NameN,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide
PubChem CID88936523
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC NameN,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide
SMILESCN(O)C(=O)CCC(O)NC(=O)CCCO
InChIInChI=1S/C9H18N2O5/c1-11(16)9(15)5-4-8(14)10-7(13)3-2-6-12/h8,12,14,16H,2-6H2,1H3,(H,10,13)
InChIKeyFRWNRLFRILZSLP-UHFFFAOYSA-N
XLogP-1.18
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(1,3-dihydroxypropyl)heptanamide
CID 130176524
5-amino-N-(1,4-dihydroxybutyl)pentanamide
CID 90749374
4-hydroxy-N-octan-4-ylbutanamide
CID 106022325
N-[1-(dimethylamino)propan-2-yl]-5-hydroxypentanamide
CID 82949799
N-(1-hydroxybutyl)decanamide
CID 87762139
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-but-3-yn-2-yl-4-hydroxybutanamide
CID 114420372
N-[(4S,5R)-1,5-dihydroxyicosan-4-yl]octadecanamide
CID 101190385
2-(4-hydroxybutanoylamino)heptanoic acid
CID 170404241
N-hex-1-yn-3-yl-4-hydroxybutanamide
CID 106233004
1,4-dihydroxybutylcarbamic acid
CID 174782853
(2R)-2-(4-hydroxybutanoylamino)butanamide
CID 167531373

Frequently Asked Questions

What is the IUPAC name of N,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide?
The IUPAC name of N,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide (CID 88936523) is N,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide.
What is the SMILES notation for N,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide?
The canonical SMILES for N,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide is CN(O)C(=O)CCC(O)NC(=O)CCCO.
What is the InChIKey of N,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide?
The InChIKey is FRWNRLFRILZSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5/c1-11(16)9(15)5-4-8(14)10-7(13)3-2-6-12/h8,12,14,16H,2-6H2,1H3,(H,10,13).
What are the key properties of N,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide?
N,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide has a molecular weight of 234.25 g/mol, XLogP of -1.18, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dihydroxy-4-(4-hydroxybutanoylamino)-N-methylbutanamide is sourced from PubChem (CID 88936523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).