1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea

C17H26N2O — CID 22879761

IUPAC1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCC1CCCc2ccc(C)cc21
InChIInChI=1S/C17H26N2O/c1-3-10-18-17(20)19-11-9-15-6-4-5-14-8-7-13(2)12-16(14)15/h7-8,12,15H,3-6,9-11H2,1-2H3,(H2,18,19,20)
InChIKeyLNYUUDNFTIMOIV-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.51
Rot. Bonds5

About 1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea

1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea (PubChem CID 22879761) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea
PubChem CID22879761
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCC1CCCc2ccc(C)cc21
InChIInChI=1S/C17H26N2O/c1-3-10-18-17(20)19-11-9-15-6-4-5-14-8-7-13(2)12-16(14)15/h7-8,12,15H,3-6,9-11H2,1-2H3,(H2,18,19,20)
InChIKeyLNYUUDNFTIMOIV-UHFFFAOYSA-N
XLogP3.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea (CID 22879761) is 1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea is CCCNC(=O)NCCC1CCCc2ccc(C)cc21.
What is the InChIKey of 1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea?
The InChIKey is LNYUUDNFTIMOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-10-18-17(20)19-11-9-15-6-4-5-14-8-7-13(2)12-16(14)15/h7-8,12,15H,3-6,9-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea?
1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea has a molecular weight of 274.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-3-propylurea is sourced from PubChem (CID 22879761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).