(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide

C11H24N2O2 — CID 104861744

IUPAC(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
SMILESCCN(CCCO)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-5-13(7-6-8-14)10(15)9(12)11(2,3)4/h9,14H,5-8,12H2,1-4H3/t9-/m0/s1
InChIKeySHFNIIGKACKQLX-VIFPVBQESA-N
MW216.32 g/mol
LogP0.59
Rot. Bonds5

About (2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide (PubChem CID 104861744) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
PubChem CID104861744
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
SMILESCCN(CCCO)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-5-13(7-6-8-14)10(15)9(12)11(2,3)4/h9,14H,5-8,12H2,1-4H3/t9-/m0/s1
InChIKeySHFNIIGKACKQLX-VIFPVBQESA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-ethyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 103929214
2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide
CID 107472719
(2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide
CID 61158175
(2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide
CID 61163638
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 61156136
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide
CID 103929250
N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 115771825
N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide
CID 115771733
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 61156283
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665
2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide
CID 114329142
2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
CID 76977906

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide (CID 104861744) is (2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide is CCN(CCCO)C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide?
The InChIKey is SHFNIIGKACKQLX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-13(7-6-8-14)10(15)9(12)11(2,3)4/h9,14H,5-8,12H2,1-4H3/t9-/m0/s1.
What are the key properties of (2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 104861744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).