(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide

C13H28N2O2 — CID 106116615

IUPAC(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide
SMILESCCCC(CCO)CNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-10(7-8-16)9-15-12(17)11(14)13(2,3)4/h10-11,16H,5-9,14H2,1-4H3,(H,15,17)/t10?,11-/m0/s1
InChIKeyRHTYJSFOPZXHRG-DTIOYNMSSA-N
MW244.38 g/mol
LogP1.27
Rot. Bonds7

About (2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide (PubChem CID 106116615) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide
PubChem CID106116615
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide
SMILESCCCC(CCO)CNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-10(7-8-16)9-15-12(17)11(14)13(2,3)4/h10-11,16H,5-9,14H2,1-4H3,(H,15,17)/t10?,11-/m0/s1
InChIKeyRHTYJSFOPZXHRG-DTIOYNMSSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119817764
(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide
CID 58124579
2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 115750981
ethyl 2-amino-3-[2-(2-hydroxyethyl)pentylamino]-3-oxopropanoate
CID 106116797
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide
CID 106116641
2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106114985
2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106116606
4-[2-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]heptanoic acid
CID 77033094
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-2-phenylacetamide
CID 106116650
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
2-(ethylamino)-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 114145534
2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide
CID 106116827

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide (CID 106116615) is (2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide is CCCC(CCO)CNC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide?
The InChIKey is RHTYJSFOPZXHRG-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-6-10(7-8-16)9-15-12(17)11(14)13(2,3)4/h10-11,16H,5-9,14H2,1-4H3,(H,15,17)/t10?,11-/m0/s1.
What are the key properties of (2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide has a molecular weight of 244.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 106116615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).