N-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide

C18H36N2O — CID 143754415

IUPACN-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide
SMILESC=C(CC)N(C)C(C)(C)CCN(C(=O)CC)C(C)(C)CC
InChIInChI=1S/C18H36N2O/c1-10-15(4)19(9)18(7,8)13-14-20(16(21)11-2)17(5,6)12-3/h4,10-14H2,1-3,5-9H3
InChIKeyDUINYFRZBRKACR-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.44
Rot. Bonds9

About N-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide

N-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 143754415) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide
PubChem CID143754415
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide
SMILESC=C(CC)N(C)C(C)(C)CCN(C(=O)CC)C(C)(C)CC
InChIInChI=1S/C18H36N2O/c1-10-15(4)19(9)18(7,8)13-14-20(16(21)11-2)17(5,6)12-3/h4,10-14H2,1-3,5-9H3
InChIKeyDUINYFRZBRKACR-UHFFFAOYSA-N
XLogP4.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of N-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide (CID 143754415) is N-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for N-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for N-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide is C=C(CC)N(C)C(C)(C)CCN(C(=O)CC)C(C)(C)CC.
What is the InChIKey of N-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is DUINYFRZBRKACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-10-15(4)19(9)18(7,8)13-14-20(16(21)11-2)17(5,6)12-3/h4,10-14H2,1-3,5-9H3.
What are the key properties of N-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide?
N-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 296.50 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[but-1-en-2-yl(methyl)amino]-3-methylbutyl]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 143754415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).