2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide

C12H26N2O2 — CID 107152773

IUPAC2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-12(5,13)10(16)14-8-9(15)7-11(2,3)4/h9,15H,6-8,13H2,1-5H3,(H,14,16)
InChIKeySBLGYTFPKJUERQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.03
Rot. Bonds5

About 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide

2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide (PubChem CID 107152773) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide
PubChem CID107152773
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-12(5,13)10(16)14-8-9(15)7-11(2,3)4/h9,15H,6-8,13H2,1-5H3,(H,14,16)
InChIKeySBLGYTFPKJUERQ-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475584
2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide
CID 79811130
2-amino-N-(2,2-dimethylpropyl)-2-methylbutanamide
CID 79805965
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103797355
2-amino-N-(2-cyanopropyl)-2-methylbutanamide
CID 79811894
2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79811579
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide
CID 79805016
N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide
CID 113239541
N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide
CID 107151804
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide
CID 106435414
2-amino-N-(2-hydroxy-2-methylbutyl)-2-methylbutanamide
CID 79811592
N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide
CID 107153016

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide (CID 107152773) is 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide is CCC(C)(N)C(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide?
The InChIKey is SBLGYTFPKJUERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-12(5,13)10(16)14-8-9(15)7-11(2,3)4/h9,15H,6-8,13H2,1-5H3,(H,14,16).
What are the key properties of 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide?
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide is sourced from PubChem (CID 107152773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).