N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide

C20H31N3O3 — CID 5149607

IUPACN-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
SMILESCCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCOC)c1
InChIInChI=1S/C20H31N3O3/c1-3-4-8-19(24)22-16-9-10-18(23-12-5-6-13-23)17(15-16)20(25)21-11-7-14-26-2/h9-10,15H,3-8,11-14H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyZKDBEBXEHUBQNR-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.18
Rot. Bonds10

About N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide

N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide (PubChem CID 5149607) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
PubChem CID5149607
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
SMILESCCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCOC)c1
InChIInChI=1S/C20H31N3O3/c1-3-4-8-19(24)22-16-9-10-18(23-12-5-6-13-23)17(15-16)20(25)21-11-7-14-26-2/h9-10,15H,3-8,11-14H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyZKDBEBXEHUBQNR-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.18
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'}

Analyze N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156
5-(decanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4643650
N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5037032
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
CID 4693028
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
5-(3,3-dimethylbutanoylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 5106369
5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42757211
N-(3-ethoxypropyl)-5-[(2-methoxyacetyl)amino]-2-piperidin-1-ylbenzamide
CID 3313832
2-(4-benzylpiperazin-1-yl)-5-(heptanoylamino)-N-(3-methoxypropyl)benzamide
CID 42659894
5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide
CID 3541895

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide (CID 5149607) is N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide is CCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCOC)c1.
What is the InChIKey of N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is ZKDBEBXEHUBQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-4-8-19(24)22-16-9-10-18(23-12-5-6-13-23)17(15-16)20(25)21-11-7-14-26-2/h9-10,15H,3-8,11-14H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide?
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 361.49 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 5149607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).