2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide

C19H30N2O2 — CID 86973291

IUPAC2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide
SMILESCC(C)(C)CC1CCCN1C(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)14-16-7-5-13-21(16)18(23)20-12-4-6-15-8-10-17(22)11-9-15/h8-11,16,22H,4-7,12-14H2,1-3H3,(H,20,23)
InChIKeyMBKGJJCYCDALDI-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.93
Rot. Bonds5

About 2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide

2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide (PubChem CID 86973291) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide
PubChem CID86973291
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide
SMILESCC(C)(C)CC1CCCN1C(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)14-16-7-5-13-21(16)18(23)20-12-4-6-15-8-10-17(22)11-9-15/h8-11,16,22H,4-7,12-14H2,1-3H3,(H,20,23)
InChIKeyMBKGJJCYCDALDI-UHFFFAOYSA-N
XLogP3.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428245
2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 111427687
(2S)-2-(hydroxymethyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide
CID 111427824
3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122018496
2-(4-aminophenyl)-1-[(2S)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanone
CID 99698262
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[3-(4-hydroxyphenyl)propyl]guanidine;hydroiodide
CID 111816065
N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 154736862
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 124670162
(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 99939916
4-(cyclohexylmethyl)-N-[3-(4-hydroxyphenyl)propyl]-1,4-diazepane-1-carboxamide
CID 86973304
1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea
CID 69241812
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide (CID 86973291) is 2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide is CC(C)(C)CC1CCCN1C(=O)NCCCc1ccc(O)cc1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide?
The InChIKey is MBKGJJCYCDALDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,3)14-16-7-5-13-21(16)18(23)20-12-4-6-15-8-10-17(22)11-9-15/h8-11,16,22H,4-7,12-14H2,1-3H3,(H,20,23).
What are the key properties of 2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide?
2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 86973291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).