2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide

C12H26N2O2 — CID 114493558

IUPAC2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNCC(C)(O)C(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)6-14-11(15)7-13-8-12(5,16)10(3)4/h9-10,13,16H,6-8H2,1-5H3,(H,14,15)
InChIKeySXTZQOJUNWGNEI-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.76
Rot. Bonds7

About 2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide

2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 114493558) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide
PubChem CID114493558
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNCC(C)(O)C(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)6-14-11(15)7-13-8-12(5,16)10(3)4/h9-10,13,16H,6-8H2,1-5H3,(H,14,15)
InChIKeySXTZQOJUNWGNEI-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
CID 114494765
2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 82109644
2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide
CID 43389745
1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol
CID 114493615
2-(2,2-dimethylpropylamino)-N-(3-methylbutyl)acetamide
CID 61486851
2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide
CID 106547161
3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide
CID 114492987
2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 86786946
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65106281
2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid
CID 139446842
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261008

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide (CID 114493558) is 2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNCC(C)(O)C(C)C.
What is the InChIKey of 2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is SXTZQOJUNWGNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)6-14-11(15)7-13-8-12(5,16)10(3)4/h9-10,13,16H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide?
2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 230.35 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 114493558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).