1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea

C16H25ClN2O3 — CID 111482842

IUPAC1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea
SMILESCOC(C)(C)CC(C)NC(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2O3/c1-11(9-16(2,3)22-4)19-15(21)18-10-14(20)12-7-5-6-8-13(12)17/h5-8,11,14,20H,9-10H2,1-4H3,(H2,18,19,21)
InChIKeyXZCJFIJZRLSEDM-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.88
Rot. Bonds7

About 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea

1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea (PubChem CID 111482842) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea
PubChem CID111482842
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea
SMILESCOC(C)(C)CC(C)NC(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2O3/c1-11(9-16(2,3)22-4)19-15(21)18-10-14(20)12-7-5-6-8-13(12)17/h5-8,11,14,20H,9-10H2,1-4H3,(H2,18,19,21)
InChIKeyXZCJFIJZRLSEDM-UHFFFAOYSA-N
XLogP2.88
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
CID 111450920
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 111453913
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea
CID 111452985
tert-butyl 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]butanoate
CID 110013393
1-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836526
1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836525
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
CID 111454036
carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate
CID 23292408
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
3-[1-(2-chlorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109901
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[4-(dimethylamino)phenyl]urea
CID 111452567

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea (CID 111482842) is 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea is COC(C)(C)CC(C)NC(=O)NCC(O)c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea?
The InChIKey is XZCJFIJZRLSEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3/c1-11(9-16(2,3)22-4)19-15(21)18-10-14(20)12-7-5-6-8-13(12)17/h5-8,11,14,20H,9-10H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea?
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea has a molecular weight of 328.84 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea is sourced from PubChem (CID 111482842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).