(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide

C14H30N2O — CID 61156136

IUPAC(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide
SMILESCCC(CC)CN(CC)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-7-11(8-2)10-16(9-3)13(17)12(15)14(4,5)6/h11-12H,7-10,15H2,1-6H3/t12-/m1/s1
InChIKeyKMYJFJBAFPKWJQ-GFCCVEGCSA-N
MW242.41 g/mol
LogP2.64
Rot. Bonds6

About (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide (PubChem CID 61156136) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide
PubChem CID61156136
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide
SMILESCCC(CC)CN(CC)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-7-11(8-2)10-16(9-3)13(17)12(15)14(4,5)6/h11-12H,7-10,15H2,1-6H3/t12-/m1/s1
InChIKeyKMYJFJBAFPKWJQ-GFCCVEGCSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)propanamide
CID 78972081
(2R)-2-amino-N-ethyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 103929214
(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)pentanamide
CID 103795380
(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
CID 104861744
N-ethyl-N-(2-ethylbutyl)-2,2-dimethylpropanamide
CID 62735136
(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
N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide
CID 62491296
2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
CID 76977906
(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164894
3-amino-1-ethyl-1-(2-ethylbutyl)urea
CID 61438084
5-amino-N-ethyl-N-(2-ethylbutyl)-2-methylpentanamide
CID 113440847

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide (CID 61156136) is (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide is CCC(CC)CN(CC)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide?
The InChIKey is KMYJFJBAFPKWJQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H30N2O/c1-7-11(8-2)10-16(9-3)13(17)12(15)14(4,5)6/h11-12H,7-10,15H2,1-6H3/t12-/m1/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide has a molecular weight of 242.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 61156136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).