2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide

C12H26N2O2 — CID 65111812

IUPAC2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCC(C)(O)CC
InChIInChI=1S/C12H26N2O2/c1-5-10(6-2)14-11(15)8-13-9-12(4,16)7-3/h10,13,16H,5-9H2,1-4H3,(H,14,15)
InChIKeyKQKWETRAVLQYTH-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.04
Rot. Bonds8

About 2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide

2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide (PubChem CID 65111812) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide
PubChem CID65111812
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCC(C)(O)CC
InChIInChI=1S/C12H26N2O2/c1-5-10(6-2)14-11(15)8-13-9-12(4,16)7-3/h10,13,16H,5-9H2,1-4H3,(H,14,15)
InChIKeyKQKWETRAVLQYTH-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide
CID 115627530
2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide
CID 66188345
N-butan-2-yl-2-(2,2-dimethylbutylamino)acetamide
CID 103461294
N-cyclopentyl-2-[(2-hydroxy-2-methylbutyl)amino]acetamide
CID 65111256
2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 65313831
2-(3-aminopropylamino)-N-pentan-3-ylacetamide
CID 62273335
2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide
CID 63964494
2-(2,2-dimethylbutylamino)-N-pentan-2-ylacetamide
CID 103461265
3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide
CID 65111192
3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 65111531
N-pentan-3-yl-2-(2-phenylethylamino)acetamide
CID 60671321
2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide
CID 54957107

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide (CID 65111812) is 2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNCC(C)(O)CC.
What is the InChIKey of 2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide?
The InChIKey is KQKWETRAVLQYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-10(6-2)14-11(15)8-13-9-12(4,16)7-3/h10,13,16H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide?
2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide has a molecular weight of 230.35 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 65111812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).