(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride

C11H25ClN2O2 — CID 119675575

IUPAC(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCCOCCCNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-5-15-8-6-7-13-10(14)9(12)11(2,3)4;/h9H,5-8,12H2,1-4H3,(H,13,14);1H/t9-;/m1./s1
InChIKeySKKKNCSCFJOHGW-SBSPUUFOSA-N
MW252.79 g/mol
LogP1.32
Rot. Bonds6

About (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119675575) has the molecular formula C11H25ClN2O2 and a molecular weight of 252.79 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
PubChem CID119675575
Molecular FormulaC11H25ClN2O2
Molecular Weight252.79 g/mol
Exact Mass252.16
IUPAC Name(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCCOCCCNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-5-15-8-6-7-13-10(14)9(12)11(2,3)4;/h9H,5-8,12H2,1-4H3,(H,13,14);1H/t9-;/m1./s1
InChIKeySKKKNCSCFJOHGW-SBSPUUFOSA-N
XLogP1.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
CID 115750966
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
(2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride
CID 119722377
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide
CID 65264682
(2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
CID 103929639
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119812179
(2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride
CID 119728295
4-amino-N-(3-ethoxypropyl)pentanamide;hydrochloride
CID 120558779
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride (CID 119675575) is (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride is CCOCCCNC(=O)[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is SKKKNCSCFJOHGW-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H24N2O2.ClH/c1-5-15-8-6-7-13-10(14)9(12)11(2,3)4;/h9H,5-8,12H2,1-4H3,(H,13,14);1H/t9-;/m1./s1.
What are the key properties of (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119675575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).