3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide

C20H24N2O3 — CID 111443143

IUPAC3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CO)C2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-15-7-8-18(21-20(24)22-10-9-17(12-22)13-23)19(11-15)25-14-16-5-3-2-4-6-16/h2-8,11,17,23H,9-10,12-14H2,1H3,(H,21,24)
InChIKeyFIDSYSWBIKITTO-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.42
Rot. Bonds5

About 3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 111443143) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID111443143
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CO)C2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-15-7-8-18(21-20(24)22-10-9-17(12-22)13-23)19(11-15)25-14-16-5-3-2-4-6-16/h2-8,11,17,23H,9-10,12-14H2,1H3,(H,21,24)
InChIKeyFIDSYSWBIKITTO-UHFFFAOYSA-N
XLogP3.42
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 86877135
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 52667395
3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 111475189
2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid
CID 114799067
1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 55890602
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-methoxybenzoic acid
CID 115965839
1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 56518924
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 60536113
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 111431455
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide (CID 111443143) is 3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(CO)C2)c(OCc2ccccc2)c1.
What is the InChIKey of 3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is FIDSYSWBIKITTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-7-8-18(21-20(24)22-10-9-17(12-22)13-23)19(11-15)25-14-16-5-3-2-4-6-16/h2-8,11,17,23H,9-10,12-14H2,1H3,(H,21,24).
What are the key properties of 3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).