N'-butan-2-yl-N-(3-hydroxypropyl)oxamide

C9H18N2O3 — CID 2914177

IUPACN'-butan-2-yl-N-(3-hydroxypropyl)oxamide
SMILESCCC(C)NC(=O)C(=O)NCCCO
InChIInChI=1S/C9H18N2O3/c1-3-7(2)11-9(14)8(13)10-5-4-6-12/h7,12H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyANIJVCJYYINEAG-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.60
Rot. Bonds5

About N'-butan-2-yl-N-(3-hydroxypropyl)oxamide

N'-butan-2-yl-N-(3-hydroxypropyl)oxamide (PubChem CID 2914177) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N'-butan-2-yl-N-(3-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-(3-hydroxypropyl)oxamide
PubChem CID2914177
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN'-butan-2-yl-N-(3-hydroxypropyl)oxamide
SMILESCCC(C)NC(=O)C(=O)NCCCO
InChIInChI=1S/C9H18N2O3/c1-3-7(2)11-9(14)8(13)10-5-4-6-12/h7,12H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyANIJVCJYYINEAG-UHFFFAOYSA-N
XLogP-0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-butan-2-yl]-N-hexyloxamide
CID 126266523
N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide
CID 108505435
N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide
CID 124506857
N'-[(2R)-butan-2-yl]oxamide
CID 124605597
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
methyl 2-(3-hydroxypropylamino)-2-oxoacetate
CID 45082405
N'-butan-2-yl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108505526
N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108983990
4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide
CID 167208778
N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide
CID 43316024
6-acetamido-N-butan-2-ylhexanamide
CID 60652726
5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(3-hydroxypropyl)oxamide?
The IUPAC name of N'-butan-2-yl-N-(3-hydroxypropyl)oxamide (CID 2914177) is N'-butan-2-yl-N-(3-hydroxypropyl)oxamide.
What is the SMILES notation for N'-butan-2-yl-N-(3-hydroxypropyl)oxamide?
The canonical SMILES for N'-butan-2-yl-N-(3-hydroxypropyl)oxamide is CCC(C)NC(=O)C(=O)NCCCO.
What is the InChIKey of N'-butan-2-yl-N-(3-hydroxypropyl)oxamide?
The InChIKey is ANIJVCJYYINEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-7(2)11-9(14)8(13)10-5-4-6-12/h7,12H,3-6H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of N'-butan-2-yl-N-(3-hydroxypropyl)oxamide?
N'-butan-2-yl-N-(3-hydroxypropyl)oxamide has a molecular weight of 202.25 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(3-hydroxypropyl)oxamide is sourced from PubChem (CID 2914177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).