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

C16H24N2O2 — CID 110892252

IUPAC1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
SMILESCC(NC(=O)NCCCO)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H24N2O2/c1-12(18-16(20)17-9-4-10-19)14-8-7-13-5-2-3-6-15(13)11-14/h7-8,11-12,19H,2-6,9-10H2,1H3,(H2,17,18,20)
InChIKeyZKXTWGURLNUQKN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.31
Rot. Bonds5

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

1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea (PubChem CID 110892252) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
PubChem CID110892252
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
SMILESCC(NC(=O)NCCCO)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H24N2O2/c1-12(18-16(20)17-9-4-10-19)14-8-7-13-5-2-3-6-15(13)11-14/h7-8,11-12,19H,2-6,9-10H2,1H3,(H2,17,18,20)
InChIKeyZKXTWGURLNUQKN-UHFFFAOYSA-N
XLogP2.31
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-methylphenoxy)propyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108881273
1-[3-(benzenesulfonyl)propyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 60592691
1-[2-(2-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108900234
1-[(4-bromophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108899407
1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108901376
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 110901095
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108882363
1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880168
1-[(4-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868153
3-(ethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62832355
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide
CID 42891543

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea (CID 110892252) is 1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea is CC(NC(=O)NCCCO)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea?
The InChIKey is ZKXTWGURLNUQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(18-16(20)17-9-4-10-19)14-8-7-13-5-2-3-6-15(13)11-14/h7-8,11-12,19H,2-6,9-10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea?
1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea has a molecular weight of 276.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea is sourced from PubChem (CID 110892252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).