1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea

C17H27N3O2 — CID 97227732

IUPAC1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea
SMILESCC(C)[C@@H](CNC(=O)NC1(CCO)CCC1)c1cccnc1
InChIInChI=1S/C17H27N3O2/c1-13(2)15(14-5-3-9-18-11-14)12-19-16(22)20-17(8-10-21)6-4-7-17/h3,5,9,11,13,15,21H,4,6-8,10,12H2,1-2H3,(H2,19,20,22)/t15-/m1/s1
InChIKeyLZEXRQOQHPSWJS-OAHLLOKOSA-N
MW305.42 g/mol
LogP2.43
Rot. Bonds7

About 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea

1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea (PubChem CID 97227732) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea
PubChem CID97227732
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea
SMILESCC(C)[C@@H](CNC(=O)NC1(CCO)CCC1)c1cccnc1
InChIInChI=1S/C17H27N3O2/c1-13(2)15(14-5-3-9-18-11-14)12-19-16(22)20-17(8-10-21)6-4-7-17/h3,5,9,11,13,15,21H,4,6-8,10,12H2,1-2H3,(H2,19,20,22)/t15-/m1/s1
InChIKeyLZEXRQOQHPSWJS-OAHLLOKOSA-N
XLogP2.43
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea with MolForge

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Related Compounds

1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine
CID 109470776
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine
CID 111911260
1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 75386726
2-methyl-3-(1-pyridin-3-ylethylcarbamoylamino)propanoic acid
CID 62670638
2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81405144
N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119899969
N-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119899980
N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide
CID 95974684
N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride
CID 119899958
N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 71860186
2-(1-aminocyclohexyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404106

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea?
The IUPAC name of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea (CID 97227732) is 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea?
The canonical SMILES for 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea is CC(C)[C@@H](CNC(=O)NC1(CCO)CCC1)c1cccnc1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea?
The InChIKey is LZEXRQOQHPSWJS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)15(14-5-3-9-18-11-14)12-19-16(22)20-17(8-10-21)6-4-7-17/h3,5,9,11,13,15,21H,4,6-8,10,12H2,1-2H3,(H2,19,20,22)/t15-/m1/s1.
What are the key properties of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea?
1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea has a molecular weight of 305.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea is sourced from PubChem (CID 97227732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).