N-butyl-N'-(3-hydroxypropyl)oxamide

C9H18N2O3 — CID 2889900

IUPACN-butyl-N'-(3-hydroxypropyl)oxamide
SMILESCCCCNC(=O)C(=O)NCCCO
InChIInChI=1S/C9H18N2O3/c1-2-3-5-10-8(13)9(14)11-6-4-7-12/h12H,2-7H2,1H3,(H,10,13)(H,11,14)
InChIKeyMPZYBNZSKJFTOX-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.60
Rot. Bonds6

About N-butyl-N'-(3-hydroxypropyl)oxamide

N-butyl-N'-(3-hydroxypropyl)oxamide (PubChem CID 2889900) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-butyl-N'-(3-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN-butyl-N'-(3-hydroxypropyl)oxamide
PubChem CID2889900
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-butyl-N'-(3-hydroxypropyl)oxamide
SMILESCCCCNC(=O)C(=O)NCCCO
InChIInChI=1S/C9H18N2O3/c1-2-3-5-10-8(13)9(14)11-6-4-7-12/h12H,2-7H2,1H3,(H,10,13)(H,11,14)
InChIKeyMPZYBNZSKJFTOX-UHFFFAOYSA-N
XLogP-0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(3-hydroxypropyl)oxamide?
The IUPAC name of N-butyl-N'-(3-hydroxypropyl)oxamide (CID 2889900) is N-butyl-N'-(3-hydroxypropyl)oxamide.
What is the SMILES notation for N-butyl-N'-(3-hydroxypropyl)oxamide?
The canonical SMILES for N-butyl-N'-(3-hydroxypropyl)oxamide is CCCCNC(=O)C(=O)NCCCO.
What is the InChIKey of N-butyl-N'-(3-hydroxypropyl)oxamide?
The InChIKey is MPZYBNZSKJFTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-3-5-10-8(13)9(14)11-6-4-7-12/h12H,2-7H2,1H3,(H,10,13)(H,11,14).
What are the key properties of N-butyl-N'-(3-hydroxypropyl)oxamide?
N-butyl-N'-(3-hydroxypropyl)oxamide has a molecular weight of 202.25 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(3-hydroxypropyl)oxamide is sourced from PubChem (CID 2889900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).