2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide

C12H26N2O2 — CID 107152947

IUPAC2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NCC(O)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-6-14-12(4,5)11(16)13-8-10(15)7-9(2)3/h9-10,14-15H,6-8H2,1-5H3,(H,13,16)
InChIKeyJVMJJDIFFKHQSM-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.90
Rot. Bonds7

About 2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide

2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide (PubChem CID 107152947) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide
PubChem CID107152947
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NCC(O)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-6-14-12(4,5)11(16)13-8-10(15)7-9(2)3/h9-10,14-15H,6-8H2,1-5H3,(H,13,16)
InChIKeyJVMJJDIFFKHQSM-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
CID 62836702
2-(ethylamino)-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 114145534
2-(ethylamino)-2-methyl-N-(2-phenylpropyl)propanamide
CID 62834242
2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 103827723
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 103771590
(2S)-1-(tert-butylamino)-4-methylpentan-2-ol
CID 2056246
N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
CID 62835754
2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide
CID 62832671
2-(ethylamino)-2-methyl-N-(3-methylbutan-2-yl)propanamide
CID 62833567
5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 107151222
6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid
CID 123706395
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide?
The IUPAC name of 2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide (CID 107152947) is 2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide?
The canonical SMILES for 2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide is CCNC(C)(C)C(=O)NCC(O)CC(C)C.
What is the InChIKey of 2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide?
The InChIKey is JVMJJDIFFKHQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-14-12(4,5)11(16)13-8-10(15)7-9(2)3/h9-10,14-15H,6-8H2,1-5H3,(H,13,16).
What are the key properties of 2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide?
2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide has a molecular weight of 230.35 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide is sourced from PubChem (CID 107152947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).