N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide

C17H27N3O — CID 109030656

IUPACN,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide
SMILESCCN(CC)C(=O)CCNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-19(4-2)17(21)11-12-18-15-7-9-16(10-8-15)20-13-5-6-14-20/h7-10,18H,3-6,11-14H2,1-2H3
InChIKeyTXZAMSNZXCWJAC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.96
Rot. Bonds7

About N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide

N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide (PubChem CID 109030656) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide
PubChem CID109030656
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide
SMILESCCN(CC)C(=O)CCNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-19(4-2)17(21)11-12-18-15-7-9-16(10-8-15)20-13-5-6-14-20/h7-10,18H,3-6,11-14H2,1-2H3
InChIKeyTXZAMSNZXCWJAC-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.96
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',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986203
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 63179252
N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109016988
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109026675
3-(4-cyanoanilino)-N,N-diethylpropanamide
CID 54936059
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109039758
N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041798

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide?
The IUPAC name of N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide (CID 109030656) is N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide?
The canonical SMILES for N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide is CCN(CC)C(=O)CCNc1ccc(N2CCCC2)cc1.
What is the InChIKey of N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide?
The InChIKey is TXZAMSNZXCWJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-19(4-2)17(21)11-12-18-15-7-9-16(10-8-15)20-13-5-6-14-20/h7-10,18H,3-6,11-14H2,1-2H3.
What are the key properties of N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide?
N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide is sourced from PubChem (CID 109030656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).