N-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide

C17H31N3O2 — CID 130183363

IUPACN-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide
SMILESC=CC(C)CNC(=O)CC(=CC)CCNC(=O)N(C)C(C)C
InChIInChI=1S/C17H31N3O2/c1-7-14(5)12-19-16(21)11-15(8-2)9-10-18-17(22)20(6)13(3)4/h7-8,13-14H,1,9-12H2,2-6H3,(H,18,22)(H,19,21)
InChIKeyCDGXJAIRNZEBJO-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.70
Rot. Bonds9

About N-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide

N-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide (PubChem CID 130183363) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide.

Molecular Properties

Compound NameN-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide
PubChem CID130183363
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide
SMILESC=CC(C)CNC(=O)CC(=CC)CCNC(=O)N(C)C(C)C
InChIInChI=1S/C17H31N3O2/c1-7-14(5)12-19-16(21)11-15(8-2)9-10-18-17(22)20(6)13(3)4/h7-8,13-14H,1,9-12H2,2-6H3,(H,18,22)(H,19,21)
InChIKeyCDGXJAIRNZEBJO-UHFFFAOYSA-N
XLogP2.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide?
The IUPAC name of N-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide (CID 130183363) is N-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide.
What is the SMILES notation for N-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide?
The canonical SMILES for N-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide is C=CC(C)CNC(=O)CC(=CC)CCNC(=O)N(C)C(C)C.
What is the InChIKey of N-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide?
The InChIKey is CDGXJAIRNZEBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-7-14(5)12-19-16(21)11-15(8-2)9-10-18-17(22)20(6)13(3)4/h7-8,13-14H,1,9-12H2,2-6H3,(H,18,22)(H,19,21).
What are the key properties of N-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide?
N-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide has a molecular weight of 309.45 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide is sourced from PubChem (CID 130183363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).