N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide

C19H23N3O — CID 112988748

IUPACN-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C19H23N3O/c1-2-19(23)21-17-7-5-15(6-8-17)20-16-9-11-18(12-10-16)22-13-3-4-14-22/h5-12,20H,2-4,13-14H2,1H3,(H,21,23)
InChIKeyAVJZGMCTOPMSCV-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.38
Rot. Bonds5

About N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide

N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide (PubChem CID 112988748) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
PubChem CID112988748
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C19H23N3O/c1-2-19(23)21-17-7-5-15(6-8-17)20-16-9-11-18(12-10-16)22-13-3-4-14-22/h5-12,20H,2-4,13-14H2,1H3,(H,21,23)
InChIKeyAVJZGMCTOPMSCV-UHFFFAOYSA-N
XLogP4.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.38
H-Bond Donors ≤ 52
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-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
1-propan-2-yl-3-[4-(4-pyrrolidin-1-ylanilino)phenyl]urea
CID 112988776
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate
CID 112988794
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
CID 113000164
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
3-methylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18165019
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide?
The IUPAC name of N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide (CID 112988748) is N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide.
What is the SMILES notation for N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide?
The canonical SMILES for N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide is CCC(=O)Nc1ccc(Nc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide?
The InChIKey is AVJZGMCTOPMSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-19(23)21-17-7-5-15(6-8-17)20-16-9-11-18(12-10-16)22-13-3-4-14-22/h5-12,20H,2-4,13-14H2,1H3,(H,21,23).
What are the key properties of N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide?
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide has a molecular weight of 309.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide is sourced from PubChem (CID 112988748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).