N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide

C25H41N3O3 — CID 5037032

IUPACN-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide
SMILESCCCCCCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCOCC)c1
InChIInChI=1S/C25H41N3O3/c1-3-5-6-7-8-9-13-24(29)27-21-14-15-23(28-17-10-11-18-28)22(20-21)25(30)26-16-12-19-31-4-2/h14-15,20H,3-13,16-19H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyVNSKKJUIAYZNJI-UHFFFAOYSA-N
MW431.62 g/mol
LogP5.13
Rot. Bonds15

About N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide

N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide (PubChem CID 5037032) has the molecular formula C25H41N3O3 and a molecular weight of 431.62 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide
PubChem CID5037032
Molecular FormulaC25H41N3O3
Molecular Weight431.62 g/mol
Exact Mass431.31
IUPAC NameN-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide
SMILESCCCCCCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCOCC)c1
InChIInChI=1S/C25H41N3O3/c1-3-5-6-7-8-9-13-24(29)27-21-14-15-23(28-17-10-11-18-28)22(20-21)25(30)26-16-12-19-31-4-2/h14-15,20H,3-13,16-19H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyVNSKKJUIAYZNJI-UHFFFAOYSA-N
XLogP5.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821
5-(decanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4643650
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
5-(decanoylamino)-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4603623
N-(3-ethoxypropyl)-5-[(2-methoxyacetyl)amino]-2-piperidin-1-ylbenzamide
CID 3313832
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
CID 4693028
5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756162
N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide
CID 42755679
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3268817
5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751410
N-(3-ethoxypropyl)-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide
CID 3442769

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide (CID 5037032) is N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide is CCCCCCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCOCC)c1.
What is the InChIKey of N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is VNSKKJUIAYZNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O3/c1-3-5-6-7-8-9-13-24(29)27-21-14-15-23(28-17-10-11-18-28)22(20-21)25(30)26-16-12-19-31-4-2/h14-15,20H,3-13,16-19H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide?
N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 431.62 g/mol, XLogP of 5.13, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 5037032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).