3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide

C11H24N2O2 — CID 103581045

IUPAC3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide
SMILESCC(C)CC(O)CNC(=O)C(C)C(C)N
InChIInChI=1S/C11H24N2O2/c1-7(2)5-10(14)6-13-11(15)8(3)9(4)12/h7-10,14H,5-6,12H2,1-4H3,(H,13,15)
InChIKeyZCTPNUIUADPMIK-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.49
Rot. Bonds6

About 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide

3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide (PubChem CID 103581045) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide
PubChem CID103581045
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide
SMILESCC(C)CC(O)CNC(=O)C(C)C(C)N
InChIInChI=1S/C11H24N2O2/c1-7(2)5-10(14)6-13-11(15)8(3)9(4)12/h7-10,14H,5-6,12H2,1-4H3,(H,13,15)
InChIKeyZCTPNUIUADPMIK-UHFFFAOYSA-N
XLogP0.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 103827723
3-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 107155574
2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide
CID 103827722
(2R)-2-amino-N-(2-hydroxybutyl)-4-methylpentanamide
CID 104904032
3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide
CID 106114112
2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 107159468
methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride
CID 120500179
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
4-hydroxy-N-(2-hydroxy-4-methylpentyl)pentanamide
CID 107159465
(2S)-2-amino-N-(2-hydroxybutyl)propanamide
CID 104866791
N-(2-amino-4-methylpentyl)-2-methylpropanamide
CID 107158681
N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103838537

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide?
The IUPAC name of 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide (CID 103581045) is 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide is CC(C)CC(O)CNC(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide?
The InChIKey is ZCTPNUIUADPMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-7(2)5-10(14)6-13-11(15)8(3)9(4)12/h7-10,14H,5-6,12H2,1-4H3,(H,13,15).
What are the key properties of 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide?
3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide is sourced from PubChem (CID 103581045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).