2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide

C12H26N2O2 — CID 104696201

IUPAC2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(CCO)C(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)7-14-12(16)8-13-11(5-6-15)10(3)4/h9-11,13,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyRHCLPSOLNOMQGF-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.76
Rot. Bonds8

About 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide

2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 104696201) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID104696201
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(CCO)C(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)7-14-12(16)8-13-11(5-6-15)10(3)4/h9-11,13,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyRHCLPSOLNOMQGF-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 53
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-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 86786946
2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 114114949
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide
CID 104891892
4-methyl-3-(3-methylbutylamino)pentan-1-ol
CID 104696133
2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
CID 43372222
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 104696173
N-cyclohexyl-2-[(1-hydroxy-4-methylpentan-3-yl)amino]acetamide
CID 104892038
3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid
CID 106349414
N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 61487192
N,N-diethyl-2-[(1-hydroxy-4-methylpentan-3-yl)amino]acetamide
CID 104696156
2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide
CID 43389745

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide (CID 104696201) is 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC(CCO)C(C)C.
What is the InChIKey of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is RHCLPSOLNOMQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)7-14-12(16)8-13-11(5-6-15)10(3)4/h9-11,13,15H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide?
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 230.35 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 104696201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).