1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C19H31N3O — CID 33425430

IUPAC1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCc1ccccc1[C@@H](C)NC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H31N3O/c1-13-9-7-8-10-16(13)14(2)20-17(23)21-15-11-18(3,4)22-19(5,6)12-15/h7-10,14-15,22H,11-12H2,1-6H3,(H2,20,21,23)/t14-/m1/s1
InChIKeyROPXRQDLZMDTPW-CQSZACIVSA-N
MW317.48 g/mol
LogP3.66
Rot. Bonds3

About 1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 33425430) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID33425430
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCc1ccccc1[C@@H](C)NC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H31N3O/c1-13-9-7-8-10-16(13)14(2)20-17(23)21-15-11-18(3,4)22-19(5,6)12-15/h7-10,14-15,22H,11-12H2,1-6H3,(H2,20,21,23)/t14-/m1/s1
InChIKeyROPXRQDLZMDTPW-CQSZACIVSA-N
XLogP3.66
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea
CID 113322035
(2R)-2-(2-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 1254093
2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide;hydrochloride
CID 126477708
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(2-methylphenyl)ethyl]urea
CID 111630257
4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238959
1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
CID 62699291
2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51164492
N'-(2-butan-2-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522629
1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111450418
1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81163308
N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide
CID 81374722
1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 80502059

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 33425430) is 1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is Cc1ccccc1[C@@H](C)NC(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is ROPXRQDLZMDTPW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H31N3O/c1-13-9-7-8-10-16(13)14(2)20-17(23)21-15-11-18(3,4)22-19(5,6)12-15/h7-10,14-15,22H,11-12H2,1-6H3,(H2,20,21,23)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 317.48 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 33425430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).