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

C17H27N3O — CID 60720263

IUPACN-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide
SMILESCCCCNC(=O)C(C)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-4-11-18-17(21)14(2)19-15-7-9-16(10-8-15)20-12-5-6-13-20/h7-10,14,19H,3-6,11-13H2,1-2H3,(H,18,21)
InChIKeyQYQXZSGUFFLCLV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.00
Rot. Bonds7

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

N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide (PubChem CID 60720263) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide.

Molecular Properties

Compound NameN-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide
PubChem CID60720263
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide
SMILESCCCCNC(=O)C(C)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-4-11-18-17(21)14(2)19-15-7-9-16(10-8-15)20-12-5-6-13-20/h7-10,14,19H,3-6,11-13H2,1-2H3,(H,18,21)
InChIKeyQYQXZSGUFFLCLV-UHFFFAOYSA-N
XLogP3.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60676702
N-ethyl-2-(4-piperidin-1-ylanilino)propanamide
CID 60673103
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148
N-butyl-2-(4-chloroanilino)propanamide
CID 43112925
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
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
N-butyl-2-(3-chloro-4-methylanilino)propanamide
CID 43112915
N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide?
The IUPAC name of N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide (CID 60720263) is N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide.
What is the SMILES notation for N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide?
The canonical SMILES for N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide is CCCCNC(=O)C(C)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide?
The InChIKey is QYQXZSGUFFLCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-4-11-18-17(21)14(2)19-15-7-9-16(10-8-15)20-12-5-6-13-20/h7-10,14,19H,3-6,11-13H2,1-2H3,(H,18,21).
What are the key properties of N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide?
N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide has a molecular weight of 289.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide is sourced from PubChem (CID 60720263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).