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

C20H24N2O2 — CID 86877135

IUPAC3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C)C2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-15-8-9-18(21-20(23)22-11-10-16(2)13-22)19(12-15)24-14-17-6-4-3-5-7-17/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyMWPYWZGKOAUHSU-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.45
Rot. Bonds4

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

3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 86877135) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID86877135
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C)C2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-15-8-9-18(21-20(23)22-11-10-16(2)13-22)19(12-15)24-14-17-6-4-3-5-7-17/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyMWPYWZGKOAUHSU-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 111443143
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
1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 55890602
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-ethoxy-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 47262001
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556
2-(2-methoxyethylamino)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 119726802
1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 111431455
N-chloro-4-methyl-2-phenylmethoxyaniline
CID 87749280
2,5-dichloro-N-(4-methyl-2-phenylmethoxyphenyl)thiophene-3-carboxamide
CID 55888940

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide (CID 86877135) is 3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(C)C2)c(OCc2ccccc2)c1.
What is the InChIKey of 3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is MWPYWZGKOAUHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-8-9-18(21-20(23)22-11-10-16(2)13-22)19(12-15)24-14-17-6-4-3-5-7-17/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of 3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide?
3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86877135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).