N-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide

C27H33N3O3 — CID 71194590

IUPACN-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide
SMILESCN(Cc1ccc(C(=O)N2CC3(C)C[C@H]2CC(C)(C)C3)cc1)C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C27H33N3O3/c1-26(2)14-22-15-27(3,17-26)18-30(22)24(32)21-12-10-19(11-13-21)16-29(4)25(33)28-23(31)20-8-6-5-7-9-20/h5-13,22H,14-18H2,1-4H3,(H,28,31,33)/t22-,27?/m1/s1
InChIKeyNBOVQLYCFKHNKA-XVPAFAEQSA-N
MW447.58 g/mol
LogP4.71
Rot. Bonds4

About N-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide

N-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide (PubChem CID 71194590) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide
PubChem CID71194590
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide
SMILESCN(Cc1ccc(C(=O)N2CC3(C)C[C@H]2CC(C)(C)C3)cc1)C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C27H33N3O3/c1-26(2)14-22-15-27(3,17-26)18-30(22)24(32)21-12-10-19(11-13-21)16-29(4)25(33)28-23(31)20-8-6-5-7-9-20/h5-13,22H,14-18H2,1-4H3,(H,28,31,33)/t22-,27?/m1/s1
InChIKeyNBOVQLYCFKHNKA-XVPAFAEQSA-N
XLogP4.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide with MolForge

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Related Compounds

(4-chlorophenyl)-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98157724
[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]methylsulfamoylcarbamic acid
CID 71010353
[4-(2-hydroxypropan-2-yl)phenyl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 58324663
methyl 3-[[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)benzoyl]amino]propanoate
CID 11292117
2-amino-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide
CID 11186525
[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] (2S)-2-benzamido-3-methylbutanoate
CID 11921409
(3-methylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 2928751
N-cyclopropyl-1,1,1-trifluoro-N-[[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]methyl]methanesulfonamide
CID 16662741
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-[[4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]phenyl]methyl]urea
CID 89359113
N-methyl-6-morpholin-4-yl-N-[[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 16662738
2-phenyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
CID 3154303
methyl 3-[[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]carbamoyl]benzoate
CID 11750886

Frequently Asked Questions

What is the IUPAC name of N-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide?
The IUPAC name of N-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide (CID 71194590) is N-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide.
What is the SMILES notation for N-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide?
The canonical SMILES for N-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide is CN(Cc1ccc(C(=O)N2CC3(C)C[C@H]2CC(C)(C)C3)cc1)C(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide?
The InChIKey is NBOVQLYCFKHNKA-XVPAFAEQSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-26(2)14-22-15-27(3,17-26)18-30(22)24(32)21-12-10-19(11-13-21)16-29(4)25(33)28-23(31)20-8-6-5-7-9-20/h5-13,22H,14-18H2,1-4H3,(H,28,31,33)/t22-,27?/m1/s1.
What are the key properties of N-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide?
N-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide has a molecular weight of 447.58 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl-[[4-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]methyl]carbamoyl]benzamide is sourced from PubChem (CID 71194590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).