1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea

C15H23ClN2O3 — CID 95771319

IUPAC1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)NC[C@H](O)COC
InChIInChI=1S/C15H23ClN2O3/c1-4-10-6-7-13(16)12(5-2)14(10)18-15(20)17-8-11(19)9-21-3/h6-7,11,19H,4-5,8-9H2,1-3H3,(H2,17,18,20)/t11-/m0/s1
InChIKeyRBKNTLKEFUPMQN-NSHDSACASA-N
MW314.81 g/mol
LogP2.59
Rot. Bonds7

About 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea

1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea (PubChem CID 95771319) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
PubChem CID95771319
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)NC[C@H](O)COC
InChIInChI=1S/C15H23ClN2O3/c1-4-10-6-7-13(16)12(5-2)14(10)18-15(20)17-8-11(19)9-21-3/h6-7,11,19H,4-5,8-9H2,1-3H3,(H2,17,18,20)/t11-/m0/s1
InChIKeyRBKNTLKEFUPMQN-NSHDSACASA-N
XLogP2.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944969
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
1-(3-bromo-4-chlorophenyl)-3-[(2R)-2-hydroxy-3-methoxypropyl]urea
CID 97054291
1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
CID 97054292
1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426624
1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890756
1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea
CID 52593738
1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol
CID 168640686
1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea
CID 47197433
N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669715
2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
CID 62855747
3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
CID 29298588

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea?
The IUPAC name of 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea (CID 95771319) is 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea.
What is the SMILES notation for 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea?
The canonical SMILES for 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea is CCc1ccc(Cl)c(CC)c1NC(=O)NC[C@H](O)COC.
What is the InChIKey of 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea?
The InChIKey is RBKNTLKEFUPMQN-NSHDSACASA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-4-10-6-7-13(16)12(5-2)14(10)18-15(20)17-8-11(19)9-21-3/h6-7,11,19H,4-5,8-9H2,1-3H3,(H2,17,18,20)/t11-/m0/s1.
What are the key properties of 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea?
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea has a molecular weight of 314.81 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea is sourced from PubChem (CID 95771319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).