2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide

C13H28N2O2 — CID 114114949

IUPAC2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCCOCC(NCC(=O)NCC(C)C)C(C)C
InChIInChI=1S/C13H28N2O2/c1-6-17-9-12(11(4)5)14-8-13(16)15-7-10(2)3/h10-12,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyYJECSMAQQVMVKM-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.41
Rot. Bonds9

About 2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide

2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 114114949) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID114114949
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCCOCC(NCC(=O)NCC(C)C)C(C)C
InChIInChI=1S/C13H28N2O2/c1-6-17-9-12(11(4)5)14-8-13(16)15-7-10(2)3/h10-12,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyYJECSMAQQVMVKM-UHFFFAOYSA-N
XLogP1.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 65049142
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 104696201
N-cyclopentyl-2-[(1-ethoxy-3-methylbutan-2-yl)amino]acetamide
CID 114114926
2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 86786946
2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
CID 43372222
N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 61487192
N-tert-butyl-2-[(1-methoxy-3-methylbutan-2-yl)amino]acetamide
CID 65048909
N-(1-ethoxy-3-methylbutan-2-yl)-2-methoxypropanamide
CID 103274835
N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 113228551
2-[(1-methoxy-2-methylpropan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 115609553
ethyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]butanoate
CID 60648237
2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide
CID 114113785

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide (CID 114114949) is 2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide is CCOCC(NCC(=O)NCC(C)C)C(C)C.
What is the InChIKey of 2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is YJECSMAQQVMVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-17-9-12(11(4)5)14-8-13(16)15-7-10(2)3/h10-12,14H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide?
2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 244.38 g/mol, XLogP of 1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 114114949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).