3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide

C17H27N3O3 — CID 119286264

IUPAC3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
SMILESCCCC(N)C(=O)Nc1cccc(C(=O)NCCCOCC)c1
InChIInChI=1S/C17H27N3O3/c1-3-7-15(18)17(22)20-14-9-5-8-13(12-14)16(21)19-10-6-11-23-4-2/h5,8-9,12,15H,3-4,6-7,10-11,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIBUHJJBOVXWVHG-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.91
Rot. Bonds10

About 3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide

3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide (PubChem CID 119286264) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
PubChem CID119286264
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
SMILESCCCC(N)C(=O)Nc1cccc(C(=O)NCCCOCC)c1
InChIInChI=1S/C17H27N3O3/c1-3-7-15(18)17(22)20-14-9-5-8-13(12-14)16(21)19-10-6-11-23-4-2/h5,8-9,12,15H,3-4,6-7,10-11,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIBUHJJBOVXWVHG-UHFFFAOYSA-N
XLogP1.91
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide
CID 103794052
3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide
CID 55924139
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide
CID 4531825
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide
CID 166187815
3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717821
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide
CID 104907128
N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride
CID 119312108
3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
CID 119286261

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide (CID 119286264) is 3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide is CCCC(N)C(=O)Nc1cccc(C(=O)NCCCOCC)c1.
What is the InChIKey of 3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide?
The InChIKey is IBUHJJBOVXWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-7-15(18)17(22)20-14-9-5-8-13(12-14)16(21)19-10-6-11-23-4-2/h5,8-9,12,15H,3-4,6-7,10-11,18H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide?
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide has a molecular weight of 321.42 g/mol, XLogP of 1.91, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 119286264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).