4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide

C15H23N3O2 — CID 79023506

IUPAC4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
SMILESCC[C@H](N)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C15H23N3O2/c1-4-13(16)14(19)17-12-9-7-11(8-10-12)15(20)18(5-2)6-3/h7-10,13H,4-6,16H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyPGEBVNOZBGNNDA-ZDUSSCGKSA-N
MW277.37 g/mol
LogP1.84
Rot. Bonds6

About 4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide

4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide (PubChem CID 79023506) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
PubChem CID79023506
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
SMILESCC[C@H](N)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C15H23N3O2/c1-4-13(16)14(19)17-12-9-7-11(8-10-12)15(20)18(5-2)6-3/h7-10,13H,4-6,16H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyPGEBVNOZBGNNDA-ZDUSSCGKSA-N
XLogP1.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride
CID 119268408
2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride
CID 119955979
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-diethylbenzamide;hydrochloride
CID 119684182
4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
CID 79023274
4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 80542029
N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79203975
ethyl 4-(2-aminobutanoylamino)benzoate
CID 61252115
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389
4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide
CID 9326771
4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684154
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]butanamide
CID 79024584
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide (CID 79023506) is 4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide is CC[C@H](N)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1.
What is the InChIKey of 4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide?
The InChIKey is PGEBVNOZBGNNDA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-13(16)14(19)17-12-9-7-11(8-10-12)15(20)18(5-2)6-3/h7-10,13H,4-6,16H2,1-3H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide?
4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 79023506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).