3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride

C18H28ClN3O3 — CID 119286261

IUPAC3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
SMILESCCOCCCNC(=O)c1cccc(NC(=O)C2(N)CCCC2)c1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-2-24-12-6-11-20-16(22)14-7-5-8-15(13-14)21-17(23)18(19)9-3-4-10-18;/h5,7-8,13H,2-4,6,9-12,19H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyHJGBUCYQAYHSHN-UHFFFAOYSA-N
MW369.89 g/mol
LogP2.47
Rot. Bonds8

About 3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride

3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride (PubChem CID 119286261) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
PubChem CID119286261
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
SMILESCCOCCCNC(=O)c1cccc(NC(=O)C2(N)CCCC2)c1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-2-24-12-6-11-20-16(22)14-7-5-8-15(13-14)21-17(23)18(19)9-3-4-10-18;/h5,7-8,13H,2-4,6,9-12,19H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyHJGBUCYQAYHSHN-UHFFFAOYSA-N
XLogP2.47
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 52.47
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-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide
CID 119283135
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide
CID 119284430
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119286258
3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717821
N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 55801583
3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119717787
3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
CID 81172976

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride?
The IUPAC name of 3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride (CID 119286261) is 3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride?
The canonical SMILES for 3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride is CCOCCCNC(=O)c1cccc(NC(=O)C2(N)CCCC2)c1.Cl.
What is the InChIKey of 3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride?
The InChIKey is HJGBUCYQAYHSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-2-24-12-6-11-20-16(22)14-7-5-8-15(13-14)21-17(23)18(19)9-3-4-10-18;/h5,7-8,13H,2-4,6,9-12,19H2,1H3,(H,20,22)(H,21,23);1H.
What are the key properties of 3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride?
3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride is sourced from PubChem (CID 119286261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).