1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea

C22H28N2O3 — CID 108870999

IUPAC1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
SMILESCCC(NC(=O)NC(C)Oc1ccc(O)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H28N2O3/c1-3-21(18-9-8-16-6-4-5-7-17(16)14-18)24-22(26)23-15(2)27-20-12-10-19(25)11-13-20/h8-15,21,25H,3-7H2,1-2H3,(H2,23,24,26)
InChIKeyYBYQYXNJUOZBCV-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.45
Rot. Bonds6

About 1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea

1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea (PubChem CID 108870999) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
PubChem CID108870999
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
SMILESCCC(NC(=O)NC(C)Oc1ccc(O)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H28N2O3/c1-3-21(18-9-8-16-6-4-5-7-17(16)14-18)24-22(26)23-15(2)27-20-12-10-19(25)11-13-20/h8-15,21,25H,3-7H2,1-2H3,(H2,23,24,26)
InChIKeyYBYQYXNJUOZBCV-UHFFFAOYSA-N
XLogP4.45
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yloxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191484
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
2-(3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 133191614
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
(2R)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100770909
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 125083149
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191464
1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108898313
(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100672901
N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133200009
1-(2-methoxyphenyl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975029

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The IUPAC name of 1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea (CID 108870999) is 1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea.
What is the SMILES notation for 1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The canonical SMILES for 1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea is CCC(NC(=O)NC(C)Oc1ccc(O)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The InChIKey is YBYQYXNJUOZBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-21(18-9-8-16-6-4-5-7-17(16)14-18)24-22(26)23-15(2)27-20-12-10-19(25)11-13-20/h8-15,21,25H,3-7H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea has a molecular weight of 368.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxyphenoxy)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea is sourced from PubChem (CID 108870999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).