3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide

C24H29N3O2 — CID 1059306

IUPAC3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCCC2)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C24H29N3O2/c28-23(13-10-19-8-2-1-3-9-19)25-20-11-12-22(26-14-4-5-15-26)21(18-20)24(29)27-16-6-7-17-27/h1-3,8-9,11-12,18H,4-7,10,13-17H2,(H,25,28)
InChIKeyQNCNCGIFNIMCMF-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.09
Rot. Bonds6

About 3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide

3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide (PubChem CID 1059306) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide
PubChem CID1059306
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCCC2)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C24H29N3O2/c28-23(13-10-19-8-2-1-3-9-19)25-20-11-12-22(26-14-4-5-15-26)21(18-20)24(29)27-16-6-7-17-27/h1-3,8-9,11-12,18H,4-7,10,13-17H2,(H,25,28)
InChIKeyQNCNCGIFNIMCMF-UHFFFAOYSA-N
XLogP4.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-butan-2-yl]-5-(3-phenylpropanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 1059153
N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751211
N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751196
N-[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-chloroacetamide
CID 1054008
N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide
CID 1063832
1-(3-ethylphenyl)-3-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]urea
CID 1065415
N-[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1054019
4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1059310
1-(3-ethylphenyl)-3-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]urea
CID 1064188
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788
3-phenyl-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 1055016
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]butanamide
CID 42751226

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide?
The IUPAC name of 3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide (CID 1059306) is 3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide is O=C(CCc1ccccc1)Nc1ccc(N2CCCC2)c(C(=O)N2CCCC2)c1.
What is the InChIKey of 3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide?
The InChIKey is QNCNCGIFNIMCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(13-10-19-8-2-1-3-9-19)25-20-11-12-22(26-14-4-5-15-26)21(18-20)24(29)27-16-6-7-17-27/h1-3,8-9,11-12,18H,4-7,10,13-17H2,(H,25,28).
What are the key properties of 3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide?
3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide has a molecular weight of 391.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide is sourced from PubChem (CID 1059306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).