(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide

C11H23N3O2 — CID 79023216

IUPAC(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide
SMILESCCCN(CC(=O)N(C)C)C(=O)[C@@H](N)CC
InChIInChI=1S/C11H23N3O2/c1-5-7-14(8-10(15)13(3)4)11(16)9(12)6-2/h9H,5-8,12H2,1-4H3/t9-/m0/s1
InChIKeyAZHGHRBFEZOREM-VIFPVBQESA-N
MW229.32 g/mol
LogP0.05
Rot. Bonds6

About (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide

(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide (PubChem CID 79023216) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide
PubChem CID79023216
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide
SMILESCCCN(CC(=O)N(C)C)C(=O)[C@@H](N)CC
InChIInChI=1S/C11H23N3O2/c1-5-7-14(8-10(15)13(3)4)11(16)9(12)6-2/h9H,5-8,12H2,1-4H3/t9-/m0/s1
InChIKeyAZHGHRBFEZOREM-VIFPVBQESA-N
XLogP0.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide
CID 54916217
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbutanamide
CID 43649681
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 64894953
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide
CID 61158178
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-propylpropanamide
CID 81088934
(2S)-2-amino-N-ethyl-N-propylbutanamide
CID 79025011
(2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide
CID 79024351
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 61042597
(2S)-2-amino-N-methyl-N-propylbutanamide
CID 79025089
2-amino-N,N-dimethylbutanamide
CID 43649466
2-amino-N-(2-amino-2-oxoethyl)-N-butylbutanamide
CID 60946996
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-(methylamino)-N-propylpropanamide
CID 79202204

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide (CID 79023216) is (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide is CCCN(CC(=O)N(C)C)C(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide?
The InChIKey is AZHGHRBFEZOREM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-7-14(8-10(15)13(3)4)11(16)9(12)6-2/h9H,5-8,12H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide?
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide has a molecular weight of 229.32 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide is sourced from PubChem (CID 79023216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).