N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide

C16H29N3O3 — CID 138056956

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide
SMILESC=CC(C)(C)CCNC(=O)C(=O)NCCC(=O)NC(C)CC
InChIInChI=1S/C16H29N3O3/c1-6-12(3)19-13(20)8-10-17-14(21)15(22)18-11-9-16(4,5)7-2/h7,12H,2,6,8-11H2,1,3-5H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyXHUQFDGPTQAFHD-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.13
Rot. Bonds9

About N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide (PubChem CID 138056956) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide
PubChem CID138056956
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide
SMILESC=CC(C)(C)CCNC(=O)C(=O)NCCC(=O)NC(C)CC
InChIInChI=1S/C16H29N3O3/c1-6-12(3)19-13(20)8-10-17-14(21)15(22)18-11-9-16(4,5)7-2/h7,12H,2,6,8-11H2,1,3-5H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyXHUQFDGPTQAFHD-UHFFFAOYSA-N
XLogP1.13
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide (CID 138056956) is N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide is C=CC(C)(C)CCNC(=O)C(=O)NCCC(=O)NC(C)CC.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide?
The InChIKey is XHUQFDGPTQAFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-6-12(3)19-13(20)8-10-17-14(21)15(22)18-11-9-16(4,5)7-2/h7,12H,2,6,8-11H2,1,3-5H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide has a molecular weight of 311.43 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide is sourced from PubChem (CID 138056956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).