1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea

C16H25ClN2O3 — CID 111508956

IUPAC1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea
SMILESCOC(CNC(=O)NCCC(O)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O3/c1-11(2)14(20)7-8-18-16(21)19-10-15(22-3)12-5-4-6-13(17)9-12/h4-6,9,11,14-15,20H,7-8,10H2,1-3H3,(H2,18,19,21)
InChIKeyJUMGGWSVFIKCNH-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.73
Rot. Bonds8

About 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea

1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea (PubChem CID 111508956) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea
PubChem CID111508956
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea
SMILESCOC(CNC(=O)NCCC(O)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O3/c1-11(2)14(20)7-8-18-16(21)19-10-15(22-3)12-5-4-6-13(17)9-12/h4-6,9,11,14-15,20H,7-8,10H2,1-3H3,(H2,18,19,21)
InChIKeyJUMGGWSVFIKCNH-UHFFFAOYSA-N
XLogP2.73
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 96566001
(2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylpropanamide
CID 96517717
2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049
1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-[[1-(methylamino)cyclobutyl]methyl]urea
CID 138047573
N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide
CID 119807214
N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide
CID 71993870
3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
CID 95969088
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide
CID 96568608
1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 90623238
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
CID 96568600
N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide
CID 134068515
1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111337805

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea (CID 111508956) is 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea is COC(CNC(=O)NCCC(O)C(C)C)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea?
The InChIKey is JUMGGWSVFIKCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3/c1-11(2)14(20)7-8-18-16(21)19-10-15(22-3)12-5-4-6-13(17)9-12/h4-6,9,11,14-15,20H,7-8,10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea?
1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea has a molecular weight of 328.84 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 111508956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).