4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide

C12H26N2O2 — CID 103810722

IUPAC4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide
SMILESCC(C)C(CCO)NC(=O)CCC(C)(C)N
InChIInChI=1S/C12H26N2O2/c1-9(2)10(6-8-15)14-11(16)5-7-12(3,4)13/h9-10,15H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyPBQHMYCCEUETQV-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.03
Rot. Bonds7

About 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide

4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide (PubChem CID 103810722) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide
PubChem CID103810722
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide
SMILESCC(C)C(CCO)NC(=O)CCC(C)(C)N
InChIInChI=1S/C12H26N2O2/c1-9(2)10(6-8-15)14-11(16)5-7-12(3,4)13/h9-10,15H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyPBQHMYCCEUETQV-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 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 ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide
CID 107219055
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 106349277
6-amino-4-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)hexanamide
CID 114176914
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 103750764
N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide
CID 103852371
3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782450
N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide
CID 106357968
2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700
(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide
CID 106349815
6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide
CID 79250281
N-(1-hydroxy-4-methylpentan-3-yl)-2-(methylamino)acetamide
CID 103810718
2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782269

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide?
The IUPAC name of 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide (CID 103810722) is 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide is CC(C)C(CCO)NC(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide?
The InChIKey is PBQHMYCCEUETQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)10(6-8-15)14-11(16)5-7-12(3,4)13/h9-10,15H,5-8,13H2,1-4H3,(H,14,16).
What are the key properties of 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide?
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide has a molecular weight of 230.35 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide is sourced from PubChem (CID 103810722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).