2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide

C14H20N2O3 — CID 102786021

IUPAC2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(C)C2CO)cc1
InChIInChI=1S/C14H20N2O3/c1-10-7-8-16(13(10)9-17)14(18)15-11-3-5-12(19-2)6-4-11/h3-6,10,13,17H,7-9H2,1-2H3,(H,15,18)
InChIKeySBYSEZXDRKTKGI-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.93
Rot. Bonds3

About 2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide

2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide (PubChem CID 102786021) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide
PubChem CID102786021
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(C)C2CO)cc1
InChIInChI=1S/C14H20N2O3/c1-10-7-8-16(13(10)9-17)14(18)15-11-3-5-12(19-2)6-4-11/h3-6,10,13,17H,7-9H2,1-2H3,(H,15,18)
InChIKeySBYSEZXDRKTKGI-UHFFFAOYSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-N-(4-cyclopentyloxyphenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 99828953
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 102785989
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 75392629
2-[3-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]phenyl]acetic acid
CID 102783225
2-(hydroxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 102786005
2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide
CID 102783638
(2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
CID 7423405
(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 82756445
(2R)-N-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94821286
1-[(4-ethoxyphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781463
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide (CID 102786021) is 2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(C)C2CO)cc1.
What is the InChIKey of 2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide?
The InChIKey is SBYSEZXDRKTKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-7-8-16(13(10)9-17)14(18)15-11-3-5-12(19-2)6-4-11/h3-6,10,13,17H,7-9H2,1-2H3,(H,15,18).
What are the key properties of 2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide?
2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 102786021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).