3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide

C25H41N5O — CID 23027754

IUPAC3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide
SMILESCN(C)c1nc(NC2CCC(NC(=O)CCC3CCCCC3)CC2)nc2c1CCCC2
InChIInChI=1S/C25H41N5O/c1-30(2)24-21-10-6-7-11-22(21)28-25(29-24)27-20-15-13-19(14-16-20)26-23(31)17-12-18-8-4-3-5-9-18/h18-20H,3-17H2,1-2H3,(H,26,31)(H,27,28,29)
InChIKeyUWJSCQKTVXOHSH-UHFFFAOYSA-N
MW427.64 g/mol
LogP4.62
Rot. Bonds7

About 3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide

3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide (PubChem CID 23027754) has the molecular formula C25H41N5O and a molecular weight of 427.64 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide
PubChem CID23027754
Molecular FormulaC25H41N5O
Molecular Weight427.64 g/mol
Exact Mass427.33
IUPAC Name3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide
SMILESCN(C)c1nc(NC2CCC(NC(=O)CCC3CCCCC3)CC2)nc2c1CCCC2
InChIInChI=1S/C25H41N5O/c1-30(2)24-21-10-6-7-11-22(21)28-25(29-24)27-20-15-13-19(14-16-20)26-23(31)17-12-18-8-4-3-5-9-18/h18-20H,3-17H2,1-2H3,(H,26,31)(H,27,28,29)
InChIKeyUWJSCQKTVXOHSH-UHFFFAOYSA-N
XLogP4.62
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide (CID 23027754) is 3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide is CN(C)c1nc(NC2CCC(NC(=O)CCC3CCCCC3)CC2)nc2c1CCCC2.
What is the InChIKey of 3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide?
The InChIKey is UWJSCQKTVXOHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O/c1-30(2)24-21-10-6-7-11-22(21)28-25(29-24)27-20-15-13-19(14-16-20)26-23(31)17-12-18-8-4-3-5-9-18/h18-20H,3-17H2,1-2H3,(H,26,31)(H,27,28,29).
What are the key properties of 3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide?
3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide has a molecular weight of 427.64 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]propanamide is sourced from PubChem (CID 23027754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).