1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea

C16H26N2O3 — CID 108880508

IUPAC1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCOCCCNC(=O)NC(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-12(2)14-6-8-15(9-7-14)21-13(3)18-16(19)17-10-5-11-20-4/h6-9,12-13H,5,10-11H2,1-4H3,(H2,17,18,19)
InChIKeyYQYSYKOAKQQLBK-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.87
Rot. Bonds8

About 1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea

1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea (PubChem CID 108880508) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
PubChem CID108880508
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCOCCCNC(=O)NC(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-12(2)14-6-8-15(9-7-14)21-13(3)18-16(19)17-10-5-11-20-4/h6-9,12-13H,5,10-11H2,1-4H3,(H2,17,18,19)
InChIKeyYQYSYKOAKQQLBK-UHFFFAOYSA-N
XLogP2.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbutyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880750
1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880606
ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate
CID 108880818
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
4-[1-(4-chlorophenoxy)ethylcarbamoylamino]butanoic acid
CID 108879787
1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880583
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880780
1-[1-(4-chlorophenoxy)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108879890
N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17205110
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367457
4-[[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]methyl]benzoic acid
CID 108880613
N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 624152

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea (CID 108880508) is 1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea is COCCCNC(=O)NC(C)Oc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is YQYSYKOAKQQLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)14-6-8-15(9-7-14)21-13(3)18-16(19)17-10-5-11-20-4/h6-9,12-13H,5,10-11H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 294.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 108880508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).