1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea

C19H32N6O2 — CID 170908255

IUPAC1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea
SMILESCC1(C)C(CNC(=O)NC2=NCCCC2)CC1NC(=O)NC1=NCCCC1
InChIInChI=1S/C19H32N6O2/c1-19(2)13(12-22-17(26)24-15-7-3-5-9-20-15)11-14(19)23-18(27)25-16-8-4-6-10-21-16/h13-14H,3-12H2,1-2H3,(H2,20,22,24,26)(H2,21,23,25,27)
InChIKeyFZWAFIIXBCBZJB-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.16
Rot. Bonds3

About 1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea

1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea (PubChem CID 170908255) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea.

Molecular Properties

Compound Name1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea
PubChem CID170908255
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea
SMILESCC1(C)C(CNC(=O)NC2=NCCCC2)CC1NC(=O)NC1=NCCCC1
InChIInChI=1S/C19H32N6O2/c1-19(2)13(12-22-17(26)24-15-7-3-5-9-20-15)11-14(19)23-18(27)25-16-8-4-6-10-21-16/h13-14H,3-12H2,1-2H3,(H2,20,22,24,26)(H2,21,23,25,27)
InChIKeyFZWAFIIXBCBZJB-UHFFFAOYSA-N
XLogP2.16
TPSA106.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea?
The IUPAC name of 1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea (CID 170908255) is 1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea.
What is the SMILES notation for 1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea?
The canonical SMILES for 1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea is CC1(C)C(CNC(=O)NC2=NCCCC2)CC1NC(=O)NC1=NCCCC1.
What is the InChIKey of 1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea?
The InChIKey is FZWAFIIXBCBZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-19(2)13(12-22-17(26)24-15-7-3-5-9-20-15)11-14(19)23-18(27)25-16-8-4-6-10-21-16/h13-14H,3-12H2,1-2H3,(H2,20,22,24,26)(H2,21,23,25,27).
What are the key properties of 1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea?
1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea has a molecular weight of 376.51 g/mol, XLogP of 2.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea is sourced from PubChem (CID 170908255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).