3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide

C14H21N3O2 — CID 103794052

IUPAC3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide
SMILESCCC[C@@H](N)C(=O)Nc1cccc(C(=O)NCC)c1
InChIInChI=1S/C14H21N3O2/c1-3-6-12(15)14(19)17-11-8-5-7-10(9-11)13(18)16-4-2/h5,7-9,12H,3-4,6,15H2,1-2H3,(H,16,18)(H,17,19)/t12-/m1/s1
InChIKeyINSIXBZWHSTZNG-GFCCVEGCSA-N
MW263.34 g/mol
LogP1.50
Rot. Bonds6

About 3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide

3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide (PubChem CID 103794052) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide
PubChem CID103794052
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide
SMILESCCC[C@@H](N)C(=O)Nc1cccc(C(=O)NCC)c1
InChIInChI=1S/C14H21N3O2/c1-3-6-12(15)14(19)17-11-8-5-7-10(9-11)13(18)16-4-2/h5,7-9,12H,3-4,6,15H2,1-2H3,(H,16,18)(H,17,19)/t12-/m1/s1
InChIKeyINSIXBZWHSTZNG-GFCCVEGCSA-N
XLogP1.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide
CID 104907128
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
3-acetamido-N-ethylbenzamide
CID 17230670
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
2-amino-N-(3-butan-2-yloxyphenyl)pentanamide
CID 55059966
3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
CID 43700232
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-propylbenzamide
CID 79011822
N-ethyl-3-(2-methylpentylamino)benzamide
CID 43680679

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide (CID 103794052) is 3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide is CCC[C@@H](N)C(=O)Nc1cccc(C(=O)NCC)c1.
What is the InChIKey of 3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide?
The InChIKey is INSIXBZWHSTZNG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-6-12(15)14(19)17-11-8-5-7-10(9-11)13(18)16-4-2/h5,7-9,12H,3-4,6,15H2,1-2H3,(H,16,18)(H,17,19)/t12-/m1/s1.
What are the key properties of 3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide?
3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 103794052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).