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

C13H18N2O3 — CID 44999404

IUPACN'-butan-2-yl-N-(3-methoxyphenyl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C13H18N2O3/c1-4-9(2)14-12(16)13(17)15-10-6-5-7-11(8-10)18-3/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17)
InChIKeySDBLCFLKHBNDKR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.55
Rot. Bonds4

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

N'-butan-2-yl-N-(3-methoxyphenyl)oxamide (PubChem CID 44999404) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-butan-2-yl-N-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-(3-methoxyphenyl)oxamide
PubChem CID44999404
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-butan-2-yl-N-(3-methoxyphenyl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C13H18N2O3/c1-4-9(2)14-12(16)13(17)15-10-6-5-7-11(8-10)18-3/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17)
InChIKeySDBLCFLKHBNDKR-UHFFFAOYSA-N
XLogP1.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(butan-2-ylamino)-N-(3-methoxyphenyl)acetamide
CID 43179380
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538
N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide
CID 95977791
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
N-(3-methoxyphenyl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61463325
N-(3-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987238

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(3-methoxyphenyl)oxamide?
The IUPAC name of N'-butan-2-yl-N-(3-methoxyphenyl)oxamide (CID 44999404) is N'-butan-2-yl-N-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N'-butan-2-yl-N-(3-methoxyphenyl)oxamide?
The canonical SMILES for N'-butan-2-yl-N-(3-methoxyphenyl)oxamide is CCC(C)NC(=O)C(=O)Nc1cccc(OC)c1.
What is the InChIKey of N'-butan-2-yl-N-(3-methoxyphenyl)oxamide?
The InChIKey is SDBLCFLKHBNDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-9(2)14-12(16)13(17)15-10-6-5-7-11(8-10)18-3/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N'-butan-2-yl-N-(3-methoxyphenyl)oxamide?
N'-butan-2-yl-N-(3-methoxyphenyl)oxamide has a molecular weight of 250.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 44999404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).