N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide

C14H20N2O2 — CID 63139935

IUPACN-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(O)cc2)CCNC1
InChIInChI=1S/C14H20N2O2/c1-2-7-14(8-9-15-10-14)13(18)16-11-3-5-12(17)6-4-11/h3-6,15,17H,2,7-10H2,1H3,(H,16,18)
InChIKeyCYUICWVTACYHPP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.11
Rot. Bonds4

About N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide

N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63139935) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63139935
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(O)cc2)CCNC1
InChIInChI=1S/C14H20N2O2/c1-2-7-14(8-9-15-10-14)13(18)16-11-3-5-12(17)6-4-11/h3-6,15,17H,2,7-10H2,1H3,(H,16,18)
InChIKeyCYUICWVTACYHPP-UHFFFAOYSA-N
XLogP2.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
N-(4-chlorophenyl)-4-propylpiperidine-4-carboxamide
CID 63127290
N-(4-bromophenyl)-4-propylpiperidine-4-carboxamide
CID 63127331
N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63141613
N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139068
3-ethyl-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 55166292
3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63138545
N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide
CID 63141667
N-(2,3-dihydro-1-benzofuran-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63140119
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide
CID 64782428

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide (CID 63139935) is N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2ccc(O)cc2)CCNC1.
What is the InChIKey of N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is CYUICWVTACYHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-7-14(8-9-15-10-14)13(18)16-11-3-5-12(17)6-4-11/h3-6,15,17H,2,7-10H2,1H3,(H,16,18).
What are the key properties of N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide?
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).