(2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride

C14H30ClN3O2 — CID 119728295

IUPAC(2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCCN(CC)C(=O)CCCNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C14H29N3O2.ClH/c1-6-17(7-2)11(18)9-8-10-16-13(19)12(15)14(3,4)5;/h12H,6-10,15H2,1-5H3,(H,16,19);1H/t12-;/m1./s1
InChIKeyVZUNSCGJACVUTR-UTONKHPSSA-N
MW307.87 g/mol
LogP1.55
Rot. Bonds7

About (2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119728295) has the molecular formula C14H30ClN3O2 and a molecular weight of 307.87 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119728295
Molecular FormulaC14H30ClN3O2
Molecular Weight307.87 g/mol
Exact Mass307.20
IUPAC Name(2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCCN(CC)C(=O)CCCNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C14H29N3O2.ClH/c1-6-17(7-2)11(18)9-8-10-16-13(19)12(15)14(3,4)5;/h12H,6-10,15H2,1-5H3,(H,16,19);1H/t12-;/m1./s1
InChIKeyVZUNSCGJACVUTR-UTONKHPSSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride with MolForge

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Related Compounds

(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119675575
(2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride
CID 119722377
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
CID 115750966
2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 76988357
(2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide
CID 103929425
2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 76927682

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride (CID 119728295) is (2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride is CCN(CC)C(=O)CCCNC(=O)[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is VZUNSCGJACVUTR-UTONKHPSSA-N. The full InChI is InChI=1S/C14H29N3O2.ClH/c1-6-17(7-2)11(18)9-8-10-16-13(19)12(15)14(3,4)5;/h12H,6-10,15H2,1-5H3,(H,16,19);1H/t12-;/m1./s1.
What are the key properties of (2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 307.87 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119728295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).