N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide

C16H25N3O — CID 60676702

IUPACN-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
SMILESCCCNC(=O)C(C)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-3-10-17-16(20)13(2)18-14-6-8-15(9-7-14)19-11-4-5-12-19/h6-9,13,18H,3-5,10-12H2,1-2H3,(H,17,20)
InChIKeyIRPZPKPLBCQKTG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.61
Rot. Bonds6

About N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide

N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide (PubChem CID 60676702) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide.

Molecular Properties

Compound NameN-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
PubChem CID60676702
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
SMILESCCCNC(=O)C(C)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-3-10-17-16(20)13(2)18-14-6-8-15(9-7-14)19-11-4-5-12-19/h6-9,13,18H,3-5,10-12H2,1-2H3,(H,17,20)
InChIKeyIRPZPKPLBCQKTG-UHFFFAOYSA-N
XLogP2.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.61
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-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60720263
N-ethyl-2-(4-piperidin-1-ylanilino)propanamide
CID 60673103
2-(4-pyrrolidin-1-ylanilino)propanoic acid
CID 63179408
(2S)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809509
(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809510
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 17423599
(2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 40809511
2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 134062601
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
2-(4-methylsulfanylanilino)-N-propylpropanamide
CID 43088199
2-(4-butan-2-yloxyanilino)-N-propylpropanamide
CID 3030788

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide?
The IUPAC name of N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide (CID 60676702) is N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide.
What is the SMILES notation for N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide?
The canonical SMILES for N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide is CCCNC(=O)C(C)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide?
The InChIKey is IRPZPKPLBCQKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-10-17-16(20)13(2)18-14-6-8-15(9-7-14)19-11-4-5-12-19/h6-9,13,18H,3-5,10-12H2,1-2H3,(H,17,20).
What are the key properties of N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide?
N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide is sourced from PubChem (CID 60676702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).