(2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide

C14H29N3O3 — CID 119641747

IUPAC(2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide
SMILESCCC(N)(CC)CNC(=O)[C@@H](NC(=O)COC)C(C)C
InChIInChI=1S/C14H29N3O3/c1-6-14(15,7-2)9-16-13(19)12(10(3)4)17-11(18)8-20-5/h10,12H,6-9,15H2,1-5H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyKNGKLGWYSRWIHW-LBPRGKRZSA-N
MW287.40 g/mol
LogP0.41
Rot. Bonds9

About (2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide

(2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide (PubChem CID 119641747) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide
PubChem CID119641747
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name(2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide
SMILESCCC(N)(CC)CNC(=O)[C@@H](NC(=O)COC)C(C)C
InChIInChI=1S/C14H29N3O3/c1-6-14(15,7-2)9-16-13(19)12(10(3)4)17-11(18)8-20-5/h10,12H,6-9,15H2,1-5H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyKNGKLGWYSRWIHW-LBPRGKRZSA-N
XLogP0.41
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride
CID 120652434
N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119639651
N-(2-amino-2-ethylbutyl)-4-methoxy-3-methylbutanamide
CID 81482511
(2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
CID 120890091
(2S)-N-(2-amino-1-cyclopropylethyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride
CID 119615222
N-(2-amino-2-ethylbutyl)-2-ethoxyacetamide;hydrochloride
CID 119642392
(2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide
CID 141214116
N-(2-amino-2-ethylbutyl)-3-methyl-2-piperidin-1-ylbutanamide
CID 119642183
(2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide
CID 71874235
(2S)-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride
CID 119457328
N-(2-amino-2-ethylbutyl)-2-methoxy-2-methylpropanamide
CID 103021621
N-(2-amino-2-ethylbutyl)-2-propoxyacetamide;hydrochloride
CID 119641121

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide?
The IUPAC name of (2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide (CID 119641747) is (2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide.
What is the SMILES notation for (2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide?
The canonical SMILES for (2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide is CCC(N)(CC)CNC(=O)[C@@H](NC(=O)COC)C(C)C.
What is the InChIKey of (2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide?
The InChIKey is KNGKLGWYSRWIHW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-6-14(15,7-2)9-16-13(19)12(10(3)4)17-11(18)8-20-5/h10,12H,6-9,15H2,1-5H3,(H,16,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide?
(2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide has a molecular weight of 287.40 g/mol, XLogP of 0.41, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide is sourced from PubChem (CID 119641747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).