N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide

C19H23N3O2 — CID 56826279

IUPACN-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(C(=O)N2CCCC2)c1)n1cccc1
InChIInChI=1S/C19H23N3O2/c1-15(21-9-2-3-10-21)13-18(23)20-17-8-6-7-16(14-17)19(24)22-11-4-5-12-22/h2-3,6-10,14-15H,4-5,11-13H2,1H3,(H,20,23)
InChIKeyYJUARRPYVUMCAI-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.31
Rot. Bonds5

About N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide

N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide (PubChem CID 56826279) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide
PubChem CID56826279
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(C(=O)N2CCCC2)c1)n1cccc1
InChIInChI=1S/C19H23N3O2/c1-15(21-9-2-3-10-21)13-18(23)20-17-8-6-7-16(14-17)19(24)22-11-4-5-12-22/h2-3,6-10,14-15H,4-5,11-13H2,1H3,(H,20,23)
InChIKeyYJUARRPYVUMCAI-UHFFFAOYSA-N
XLogP3.31
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-pyrrol-1-ylbutanoylamino)benzoic acid
CID 75482450
4-amino-N-[3-(piperidine-1-carbonyl)phenyl]pentanamide;hydrochloride
CID 120560909
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
N-[3-(piperidine-1-carbonyl)phenyl]tetradecanamide
CID 54791960
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
N-[[3-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-methylbutanamide
CID 26159915
N-[3-(azepane-1-carbonyl)phenyl]-4-chlorobutanamide
CID 26159666
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 54815077
2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843283
3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
5-oxo-5-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 110353707

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide?
The IUPAC name of N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide (CID 56826279) is N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide?
The canonical SMILES for N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide is CC(CC(=O)Nc1cccc(C(=O)N2CCCC2)c1)n1cccc1.
What is the InChIKey of N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide?
The InChIKey is YJUARRPYVUMCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(21-9-2-3-10-21)13-18(23)20-17-8-6-7-16(14-17)19(24)22-11-4-5-12-22/h2-3,6-10,14-15H,4-5,11-13H2,1H3,(H,20,23).
What are the key properties of N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide?
N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide has a molecular weight of 325.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide is sourced from PubChem (CID 56826279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).