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

C20H32N2O — CID 67628500

IUPAC1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea
SMILESCCCCc1ccc2c(c1)[C@@H](CCNC(=O)NCCC)CCC2
InChIInChI=1S/C20H32N2O/c1-3-5-7-16-10-11-17-8-6-9-18(19(17)15-16)12-14-22-20(23)21-13-4-2/h10-11,15,18H,3-9,12-14H2,1-2H3,(H2,21,22,23)/t18-/m1/s1
InChIKeyYQFNSCCVCIBWST-GOSISDBHSA-N
MW316.49 g/mol
LogP4.55
Rot. Bonds8

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

1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea (PubChem CID 67628500) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea
PubChem CID67628500
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea
SMILESCCCCc1ccc2c(c1)[C@@H](CCNC(=O)NCCC)CCC2
InChIInChI=1S/C20H32N2O/c1-3-5-7-16-10-11-17-8-6-9-18(19(17)15-16)12-14-22-20(23)21-13-4-2/h10-11,15,18H,3-9,12-14H2,1-2H3,(H2,21,22,23)/t18-/m1/s1
InChIKeyYQFNSCCVCIBWST-GOSISDBHSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea?
The IUPAC name of 1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea (CID 67628500) is 1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea?
The canonical SMILES for 1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea is CCCCc1ccc2c(c1)[C@@H](CCNC(=O)NCCC)CCC2.
What is the InChIKey of 1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea?
The InChIKey is YQFNSCCVCIBWST-GOSISDBHSA-N. The full InChI is InChI=1S/C20H32N2O/c1-3-5-7-16-10-11-17-8-6-9-18(19(17)15-16)12-14-22-20(23)21-13-4-2/h10-11,15,18H,3-9,12-14H2,1-2H3,(H2,21,22,23)/t18-/m1/s1.
What are the key properties of 1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea?
1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea has a molecular weight of 316.49 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea is sourced from PubChem (CID 67628500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).