2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide

C16H30N2O2 — CID 78974200

IUPAC2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN(CCC(C)C)C1CC1)C(C)C
InChIInChI=1S/C16H30N2O2/c1-11(2)8-9-18(14-6-7-14)10-15(20)17-16(12(3)4)13(5)19/h11-12,14,16H,6-10H2,1-5H3,(H,17,20)
InChIKeyWRDAZIPSUWLGSG-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.23
Rot. Bonds9

About 2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 78974200) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID78974200
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN(CCC(C)C)C1CC1)C(C)C
InChIInChI=1S/C16H30N2O2/c1-11(2)8-9-18(14-6-7-14)10-15(20)17-16(12(3)4)13(5)19/h11-12,14,16H,6-10H2,1-5H3,(H,17,20)
InChIKeyWRDAZIPSUWLGSG-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55210363
3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 60839716
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
2-[1-cyclopropylethyl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793111
5-[cyclopropyl(3-methylbutyl)amino]pentan-2-one
CID 78974221
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55010254
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 78974415
2-[3-aminopropyl(cyclopentyl)amino]-N-propan-2-ylacetamide
CID 43137564
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 113239606
N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide
CID 78973770
N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103070075
2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793356

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 78974200) is 2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)CN(CCC(C)C)C1CC1)C(C)C.
What is the InChIKey of 2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is WRDAZIPSUWLGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(2)8-9-18(14-6-7-14)10-15(20)17-16(12(3)4)13(5)19/h11-12,14,16H,6-10H2,1-5H3,(H,17,20).
What are the key properties of 2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 282.43 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 78974200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).