4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide

C18H27N3O2 — CID 119532098

IUPAC4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)C1CCNC1
InChIInChI=1S/C18H27N3O2/c1-4-11-21(16-9-10-19-12-16)18(23)14-5-7-15(8-6-14)20-17(22)13(2)3/h5-8,13,16,19H,4,9-12H2,1-3H3,(H,20,22)
InChIKeyDDDBOQBXAZXCLV-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.50
Rot. Bonds6

About 4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide

4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 119532098) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
PubChem CID119532098
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)C1CCNC1
InChIInChI=1S/C18H27N3O2/c1-4-11-21(16-9-10-19-12-16)18(23)14-5-7-15(8-6-14)20-17(22)13(2)3/h5-8,13,16,19H,4,9-12H2,1-3H3,(H,20,22)
InChIKeyDDDBOQBXAZXCLV-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-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

4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530957
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119826401
4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824537
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide
CID 60807585
N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533288
4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119531624
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585
N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
CID 119530020

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide (CID 119532098) is 4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide is CCCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)C1CCNC1.
What is the InChIKey of 4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is DDDBOQBXAZXCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-11-21(16-9-10-19-12-16)18(23)14-5-7-15(8-6-14)20-17(22)13(2)3/h5-8,13,16,19H,4,9-12H2,1-3H3,(H,20,22).
What are the key properties of 4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide?
4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 317.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119532098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).