2-amino-N-(3-ethylphenyl)butanediamide

C12H17N3O2 — CID 54928255

IUPAC2-amino-N-(3-ethylphenyl)butanediamide
SMILESCCc1cccc(NC(=O)C(N)CC(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-2-8-4-3-5-9(6-8)15-12(17)10(13)7-11(14)16/h3-6,10H,2,7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyIVFQPTKWJTWDDZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.39
Rot. Bonds5

About 2-amino-N-(3-ethylphenyl)butanediamide

2-amino-N-(3-ethylphenyl)butanediamide (PubChem CID 54928255) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-N-(3-ethylphenyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylphenyl)butanediamide
PubChem CID54928255
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-N-(3-ethylphenyl)butanediamide
SMILESCCc1cccc(NC(=O)C(N)CC(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-2-8-4-3-5-9(6-8)15-12(17)10(13)7-11(14)16/h3-6,10H,2,7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyIVFQPTKWJTWDDZ-UHFFFAOYSA-N
XLogP0.39
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
N-(3-acetamidophenyl)-2-aminobutanediamide
CID 60847053
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
(2S)-2-amino-N-[3-(dimethylamino)phenyl]butanediamide
CID 110482736
2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide
CID 60846611
3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422
2-chloro-N-(3-ethylphenyl)butanamide
CID 20553592
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
6-amino-N-(3-ethylphenyl)-2-methylheptanamide
CID 65293048
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylphenyl)butanediamide?
The IUPAC name of 2-amino-N-(3-ethylphenyl)butanediamide (CID 54928255) is 2-amino-N-(3-ethylphenyl)butanediamide.
What is the SMILES notation for 2-amino-N-(3-ethylphenyl)butanediamide?
The canonical SMILES for 2-amino-N-(3-ethylphenyl)butanediamide is CCc1cccc(NC(=O)C(N)CC(N)=O)c1.
What is the InChIKey of 2-amino-N-(3-ethylphenyl)butanediamide?
The InChIKey is IVFQPTKWJTWDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-8-4-3-5-9(6-8)15-12(17)10(13)7-11(14)16/h3-6,10H,2,7,13H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-(3-ethylphenyl)butanediamide?
2-amino-N-(3-ethylphenyl)butanediamide has a molecular weight of 235.29 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylphenyl)butanediamide is sourced from PubChem (CID 54928255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).