N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide

C18H37N3O — CID 126701035

IUPACN-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide
SMILESC=C(CCN(C)CCC(=O)NC(C)(C)CC)NC(C)(C)CC
InChIInChI=1S/C18H37N3O/c1-9-17(4,5)19-15(3)11-13-21(8)14-12-16(22)20-18(6,7)10-2/h19H,3,9-14H2,1-2,4-8H3,(H,20,22)
InChIKeyIKSPHBOQMRFLQC-UHFFFAOYSA-N
MW311.51 g/mol
LogP3.30
Rot. Bonds11

About N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide

N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide (PubChem CID 126701035) has the molecular formula C18H37N3O and a molecular weight of 311.51 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide
PubChem CID126701035
Molecular FormulaC18H37N3O
Molecular Weight311.51 g/mol
Exact Mass311.29
IUPAC NameN-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide
SMILESC=C(CCN(C)CCC(=O)NC(C)(C)CC)NC(C)(C)CC
InChIInChI=1S/C18H37N3O/c1-9-17(4,5)19-15(3)11-13-21(8)14-12-16(22)20-18(6,7)10-2/h19H,3,9-14H2,1-2,4-8H3,(H,20,22)
InChIKeyIKSPHBOQMRFLQC-UHFFFAOYSA-N
XLogP3.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide (CID 126701035) is N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide is C=C(CCN(C)CCC(=O)NC(C)(C)CC)NC(C)(C)CC.
What is the InChIKey of N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide?
The InChIKey is IKSPHBOQMRFLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O/c1-9-17(4,5)19-15(3)11-13-21(8)14-12-16(22)20-18(6,7)10-2/h19H,3,9-14H2,1-2,4-8H3,(H,20,22).
What are the key properties of N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide?
N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide has a molecular weight of 311.51 g/mol, XLogP of 3.30, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide is sourced from PubChem (CID 126701035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).