1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea

C17H28ClN3O2 — CID 111453913

IUPAC1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea
SMILESCC(C)N(CCNC(=O)NCC(O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C17H28ClN3O2/c1-12(2)21(13(3)4)10-9-19-17(23)20-11-16(22)14-7-5-6-8-15(14)18/h5-8,12-13,16,22H,9-11H2,1-4H3,(H2,19,20,23)
InChIKeyWNDCTMHCJHULSY-UHFFFAOYSA-N
MW341.88 g/mol
LogP2.79
Rot. Bonds8

About 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea

1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea (PubChem CID 111453913) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea
PubChem CID111453913
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC Name1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea
SMILESCC(C)N(CCNC(=O)NCC(O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C17H28ClN3O2/c1-12(2)21(13(3)4)10-9-19-17(23)20-11-16(22)14-7-5-6-8-15(14)18/h5-8,12-13,16,22H,9-11H2,1-4H3,(H2,19,20,23)
InChIKeyWNDCTMHCJHULSY-UHFFFAOYSA-N
XLogP2.79
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
CID 111454036
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea
CID 111452985
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[4-(dimethylamino)phenyl]urea
CID 111452567
carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate
CID 23292408
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea
CID 111482842
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea
CID 3793691
(2S)-3-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107837851
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide
CID 111450921
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(4-cyanophenyl)methyl]urea
CID 111450482
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
CID 111450926
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
CID 111450920

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea (CID 111453913) is 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea is CC(C)N(CCNC(=O)NCC(O)c1ccccc1Cl)C(C)C.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea?
The InChIKey is WNDCTMHCJHULSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O2/c1-12(2)21(13(3)4)10-9-19-17(23)20-11-16(22)14-7-5-6-8-15(14)18/h5-8,12-13,16,22H,9-11H2,1-4H3,(H2,19,20,23).
What are the key properties of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea?
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea has a molecular weight of 341.88 g/mol, XLogP of 2.79, 8 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-[2-[di(propan-2-yl)amino]ethyl]urea is sourced from PubChem (CID 111453913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).