N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide

C16H24N2O2 — CID 75377861

IUPACN-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CCCCNC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-15-9-7-14(8-10-15)6-2-3-11-17-16(19)18-12-4-5-13-18/h7-10H,2-6,11-13H2,1H3,(H,17,19)
InChIKeyZRUASZUASQNSBA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.82
Rot. Bonds6

About N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide

N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide (PubChem CID 75377861) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
PubChem CID75377861
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CCCCNC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-15-9-7-14(8-10-15)6-2-3-11-17-16(19)18-12-4-5-13-18/h7-10H,2-6,11-13H2,1H3,(H,17,19)
InChIKeyZRUASZUASQNSBA-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[3-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 118398472
N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103863
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 110356585
4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421
3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90505512
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 60542874
N'-[(4-methoxyphenyl)methyl]-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892077
4-(cyclohexylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 55913020
(3R)-3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]azepane-1-carboxamide
CID 99903053
N-[2-(4-chlorophenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989697

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide (CID 75377861) is N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide is COc1ccc(CCCCNC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide?
The InChIKey is ZRUASZUASQNSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-15-9-7-14(8-10-15)6-2-3-11-17-16(19)18-12-4-5-13-18/h7-10H,2-6,11-13H2,1H3,(H,17,19).
What are the key properties of N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide?
N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75377861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).