(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide

C13H27N3O2 — CID 61158178

IUPAC(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide
SMILESCCCN(CC(=O)N(C)C)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C13H27N3O2/c1-6-7-16(9-12(17)15(4)5)13(18)11(14)8-10(2)3/h10-11H,6-9,14H2,1-5H3/t11-/m0/s1
InChIKeyVDPSMFCSRJLYGS-NSHDSACASA-N
MW257.38 g/mol
LogP0.69
Rot. Bonds7

About (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide

(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide (PubChem CID 61158178) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide
PubChem CID61158178
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide
SMILESCCCN(CC(=O)N(C)C)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C13H27N3O2/c1-6-7-16(9-12(17)15(4)5)13(18)11(14)8-10(2)3/h10-11H,6-9,14H2,1-5H3/t11-/m0/s1
InChIKeyVDPSMFCSRJLYGS-NSHDSACASA-N
XLogP0.69
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide
CID 79023216
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide
CID 54916217
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 64894953
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-propylpropanamide
CID 81088934
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 61164150
(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 104902620
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
CID 119687384
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
CID 61164908
(2R)-2-amino-N,N-dihexyl-4-methylpentanamide
CID 104903090
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-(methylamino)-N-propylpropanamide
CID 79202204
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbutanamide
CID 43649681

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide (CID 61158178) is (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide is CCCN(CC(=O)N(C)C)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide?
The InChIKey is VDPSMFCSRJLYGS-NSHDSACASA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-7-16(9-12(17)15(4)5)13(18)11(14)8-10(2)3/h10-11H,6-9,14H2,1-5H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide?
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.69, 7 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]-4-methyl-N-propylpentanamide is sourced from PubChem (CID 61158178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).