1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea

C16H25ClN2O3 — CID 111509009

IUPAC1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea
SMILESCC(O)CC(C)CNC(=O)NCC(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O3/c1-11(8-12(2)20)9-18-16(21)19-10-13(3)22-15-6-4-14(17)5-7-15/h4-7,11-13,20H,8-10H2,1-3H3,(H2,18,19,21)
InChIKeyKWYRICJTSKOOHC-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.81
Rot. Bonds8

About 1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea

1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea (PubChem CID 111509009) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea
PubChem CID111509009
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea
SMILESCC(O)CC(C)CNC(=O)NCC(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O3/c1-11(8-12(2)20)9-18-16(21)19-10-13(3)22-15-6-4-14(17)5-7-15/h4-7,11-13,20H,8-10H2,1-3H3,(H2,18,19,21)
InChIKeyKWYRICJTSKOOHC-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-chlorophenoxy)propylcarbamoylamino]propanoic acid
CID 122004324
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111455174
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111454087
N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide
CID 75431267
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
CID 15239278
1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 111453932
1-(3-chloro-4-fluorophenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452669
4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111447534
4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
CID 111447249
1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea
CID 71992450

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea?
The IUPAC name of 1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea (CID 111509009) is 1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea is CC(O)CC(C)CNC(=O)NCC(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea?
The InChIKey is KWYRICJTSKOOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3/c1-11(8-12(2)20)9-18-16(21)19-10-13(3)22-15-6-4-14(17)5-7-15/h4-7,11-13,20H,8-10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea?
1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea has a molecular weight of 328.84 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea is sourced from PubChem (CID 111509009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).