1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea

C18H27N3O3 — CID 95168023

IUPAC1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCC[C@@](C)(O)CNC(=O)Nc1cccc(C)c1C(=O)N1CCCC1
InChIInChI=1S/C18H27N3O3/c1-4-18(3,24)12-19-17(23)20-14-9-7-8-13(2)15(14)16(22)21-10-5-6-11-21/h7-9,24H,4-6,10-12H2,1-3H3,(H2,19,20,23)/t18-/m1/s1
InChIKeySYLQFCKYHGSSPY-GOSISDBHSA-N
MW333.43 g/mol
LogP2.51
Rot. Bonds5

About 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea

1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 95168023) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID95168023
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCC[C@@](C)(O)CNC(=O)Nc1cccc(C)c1C(=O)N1CCCC1
InChIInChI=1S/C18H27N3O3/c1-4-18(3,24)12-19-17(23)20-14-9-7-8-13(2)15(14)16(22)21-10-5-6-11-21/h7-9,24H,4-6,10-12H2,1-3H3,(H2,19,20,23)/t18-/m1/s1
InChIKeySYLQFCKYHGSSPY-GOSISDBHSA-N
XLogP2.51
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47063875
2-methyl-3-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119715817
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 94080026
1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 94080028
1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86989203
1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
CID 94798731
2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111331876
2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715681
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119285186
4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119715797
2-(2-ethoxyphenoxy)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55715273
4-benzoyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
CID 112826100

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea (CID 95168023) is 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea is CC[C@@](C)(O)CNC(=O)Nc1cccc(C)c1C(=O)N1CCCC1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is SYLQFCKYHGSSPY-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-18(3,24)12-19-17(23)20-14-9-7-8-13(2)15(14)16(22)21-10-5-6-11-21/h7-9,24H,4-6,10-12H2,1-3H3,(H2,19,20,23)/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea?
1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 333.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 95168023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).