N-(4-butylphenyl)pyrrolidine-1-carboxamide

C15H22N2O — CID 6467545

IUPACN-(4-butylphenyl)pyrrolidine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-3-6-13-7-9-14(10-8-13)16-15(18)17-11-4-5-12-17/h7-10H,2-6,11-12H2,1H3,(H,16,18)
InChIKeyPSCHMVXRTMPFSE-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.66
Rot. Bonds4

About N-(4-butylphenyl)pyrrolidine-1-carboxamide

N-(4-butylphenyl)pyrrolidine-1-carboxamide (PubChem CID 6467545) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(4-butylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)pyrrolidine-1-carboxamide
PubChem CID6467545
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(4-butylphenyl)pyrrolidine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-3-6-13-7-9-14(10-8-13)16-15(18)17-11-4-5-12-17/h7-10H,2-6,11-12H2,1H3,(H,16,18)
InChIKeyPSCHMVXRTMPFSE-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
2-(azepan-1-yl)-N-(4-butylphenyl)-2-oxoacetamide
CID 108502414
tert-butyl 4-[(4-butylphenyl)carbamoyl]-1,4-diazepane-1-carboxylate
CID 59143338
N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110890423
N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide
CID 143227744
4-[(4-butylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide
CID 9240911
N-(4-butylphenyl)-4-(3-cyclopropylpropanoyl)-1,4-diazepane-1-carboxamide
CID 24948113
N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide
CID 79152025
5-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(4-butylphenyl)-1,5-diazocane-1-carboxamide
CID 178156658
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
N-[4-(ethylaminomethyl)phenyl]piperidine-1-carboxamide
CID 106911585
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-butylphenyl)pyrrolidine-1-carboxamide (CID 6467545) is N-(4-butylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-butylphenyl)pyrrolidine-1-carboxamide is CCCCc1ccc(NC(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-butylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is PSCHMVXRTMPFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-6-13-7-9-14(10-8-13)16-15(18)17-11-4-5-12-17/h7-10H,2-6,11-12H2,1H3,(H,16,18).
What are the key properties of N-(4-butylphenyl)pyrrolidine-1-carboxamide?
N-(4-butylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 6467545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).