(2S)-2-amino-N-ethyl-N-propylbutanamide

C9H20N2O — CID 79025011

IUPAC(2S)-2-amino-N-ethyl-N-propylbutanamide
SMILESCCCN(CC)C(=O)[C@@H](N)CC
InChIInChI=1S/C9H20N2O/c1-4-7-11(6-3)9(12)8(10)5-2/h8H,4-7,10H2,1-3H3/t8-/m0/s1
InChIKeyOMXHCWIFOUEXGL-QMMMGPOBSA-N
MW172.27 g/mol
LogP0.98
Rot. Bonds5

About (2S)-2-amino-N-ethyl-N-propylbutanamide

(2S)-2-amino-N-ethyl-N-propylbutanamide (PubChem CID 79025011) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-propylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-propylbutanamide
PubChem CID79025011
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-2-amino-N-ethyl-N-propylbutanamide
SMILESCCCN(CC)C(=O)[C@@H](N)CC
InChIInChI=1S/C9H20N2O/c1-4-7-11(6-3)9(12)8(10)5-2/h8H,4-7,10H2,1-3H3/t8-/m0/s1
InChIKeyOMXHCWIFOUEXGL-QMMMGPOBSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide
CID 79024351
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanamide
CID 102992755
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide
CID 79023216
(2S)-2-amino-N-methyl-N-propylbutanamide
CID 79025089
(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide
CID 81425726
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbutanamide
CID 43649681
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
2-amino-N-(2-amino-2-oxoethyl)-N-butylbutanamide
CID 60946996
2-amino-N-butyl-N-ethyl-3-methoxypropanamide
CID 81081138
2-amino-N,N-dimethylbutanamide
CID 43649466
(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide
CID 107569737
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-propylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-propylbutanamide (CID 79025011) is (2S)-2-amino-N-ethyl-N-propylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-propylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-propylbutanamide is CCCN(CC)C(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-propylbutanamide?
The InChIKey is OMXHCWIFOUEXGL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-7-11(6-3)9(12)8(10)5-2/h8H,4-7,10H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-propylbutanamide?
(2S)-2-amino-N-ethyl-N-propylbutanamide has a molecular weight of 172.27 g/mol, XLogP of 0.98, 5 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-propylbutanamide is sourced from PubChem (CID 79025011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).